********------ parameter change ------***********
ntail = 300
********------ parameter change ------***********
finish = 50
********------ parameter change ------***********
solver = CTQMC
********------ parameter change ------***********
max_lda_iterations = 10
********------ parameter change ------***********
wbroad = 0.03
********------ parameter change ------***********
saver = 1.0
********------ parameter change ------***********
kbroad = 0.15
********------ parameter change ------***********
max_dmft_iterations = 2
********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
********------ parameter change ------***********
fh_info = <open file 'dmft_info.out', mode 'w' at 0xccf938>
***** Reading Structure file *****
Number of sorts, nat= 3
unit vectors (a,b,c) are  7.16471 7.16471 12.026033
angles betwen unit vectors are [ 90.  90.  90.]
---- over all types and atoms ----
---------- atom type 0 ------------
iatnr= -1
Position inside the unit cell, pos= [0.75, 0.25, 0.5]
Number of atoms of this type, mult= 2
Symmetry of the atom, isplit= -2
   *** Equivalent atoms ***
    iatnr= -1     pos= [0.25, 0.75, 0.5]
--------- Information about the current type -------------
aname= Fe         Znuc= 26.0 Rmt= 2.41
RotLoc= [[0.70710680000000004, -0.70710680000000004, 0.0], [0.70710680000000004, 0.70710680000000004, 0.0], [0.0, 0.0, 1.0]]
-----------------------------------------------------------
---------- atom type 1 ------------
iatnr= -2
Position inside the unit cell, pos= [0.25, 0.25, 0.26350000000000001]
Number of atoms of this type, mult= 2
Symmetry of the atom, isplit= -2
   *** Equivalent atoms ***
    iatnr= -2     pos= [0.75, 0.75, 0.73650000000000004]
--------- Information about the current type -------------
aname= As         Znuc= 33.0 Rmt= 2.14
RotLoc= [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
-----------------------------------------------------------
---------- atom type 2 ------------
iatnr= -3
Position inside the unit cell, pos= [0.25, 0.25, 0.84589999999999999]
Number of atoms of this type, mult= 2
Symmetry of the atom, isplit= -2
   *** Equivalent atoms ***
    iatnr= -3     pos= [0.75, 0.75, 0.15409999999999999]
--------- Information about the current type -------------
aname= Li         Znuc= 3.0 Rmt= 2.5
RotLoc= [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
-----------------------------------------------------------
Z= [26.0, 26.0, 33.0, 33.0, 3.0, 3.0]

Znucs= {1: 26, 2: 26}
iSiginds= {0: [[1, 0, 0, 0, 0], [0, 2, 0, 0, 0], [0, 0, 3, 0, 0], [0, 0, 0, 4, 0], [0, 0, 0, 0, 5]]}
Impurity-lattice connection: icols_ind= {0: [1, 2]}
--------- Preparing GF calculation ---------
/home/yinzping/dmft_w2k_111/bin/x_dmft.py -d dmft0 >> dmft0_info.out 2>&1
 
--------- Preparing GF calculation ---------
/home/yinzping/dmft_w2k_111/bin/x_dmft.py -d dmft1 >> dmft1_info.out 2>&1
 
--------- Preparing CHR calculation ---------
/home/yinzping/dmft_w2k_111/bin/x_dmft.py -d -m 1 -x 1.0 -w 1.0 dmft2 >> ksum_info.out 2>&1
 
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.929657653643332, 26.167196572254788, 26.300206943151899, 26.301377633847487, 26.096550080365819]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:20.11elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89051617 -27.00849159 -26.8397112  -26.83970052 -26.86032421]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25255205201
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.898029161668688, 26.119396112993201, 26.279948053187649, 26.279901127167591, 26.09402132531309]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:12.13elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89053432 -27.00852629 -26.8397189  -26.83970832 -26.86034601]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25588625161
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.1.2', 'sig.inp.1.1']
saverage.py -o sig.inp sig.inp.1.2 sig.inp.1.1
files to average over: ['sig.inp.1.2', 'sig.inp.1.1']
output:  sig.inp
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 0 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 0 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 0 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 0 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 0 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 0 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 0 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 0 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.910932362091955, 26.145470118293588, 26.288154417206222, 26.288648603980924, 26.085986343270665]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.05system 0:21.51elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89912738 -27.01774808 -26.84830102 -26.84829039 -26.86913557]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25676493873
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944263908792941, 26.18832911550464, 26.306303443563639, 26.30468279719371, 26.090945611479139]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:11.68elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89910903 -27.01771626 -26.84829355 -26.84828306 -26.86911374]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25869116735
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.2.2', 'sig.inp.2.1']
saverage.py -o sig.inp sig.inp.2.2 sig.inp.2.1
files to average over: ['sig.inp.2.2', 'sig.inp.2.1']
output:  sig.inp
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 1 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.944646304752922, 26.18720892869915, 26.308408392775171, 26.3082230618427, 26.096475630167735]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:18.71elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89591217 -27.01121271 -26.84429953 -26.84428893 -26.86287012]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25762242882
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931501505109459, 26.172739238560411, 26.30737125582715, 26.307621066583, 26.098011629447669]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:12.03elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89591716 -27.01122306 -26.84430083 -26.8442902  -26.86287535]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25126921278
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.3.2', 'sig.inp.3.1']
saverage.py -o sig.inp sig.inp.3.2 sig.inp.3.1
files to average over: ['sig.inp.3.2', 'sig.inp.3.1']
output:  sig.inp
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 2 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931088735949135, 26.173494525455975, 26.308715410920239, 26.30814815768689, 26.09813160687877]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:18.43elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89818038 -27.01508493 -26.84710467 -26.84709408 -26.86666678]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25348557474
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93638232503109, 26.178566093978461, 26.306292914139441, 26.308601247887651, 26.096767538393291]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:11.69elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89817889 -27.01508138 -26.84710462 -26.84709383 -26.86666541]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25902637987
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.4.2', 'sig.inp.4.1']
saverage.py -o sig.inp sig.inp.4.2 sig.inp.4.1
files to average over: ['sig.inp.4.2', 'sig.inp.4.1']
output:  sig.inp
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 3 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93672113979525, 26.179350692496079, 26.308408304692374, 26.309177526522721, 26.097307812883912]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:17.80elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89909106 -27.01611802 -26.84794182 -26.84793113 -26.86753969]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25430625358
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9384257028257, 26.179787136675859, 26.30977534888633, 26.30919074834938, 26.099655025730449]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:13.07elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89908966 -27.01611731 -26.84794117 -26.84793057 -26.86753797]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25906795785
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.5.2', 'sig.inp.5.1']
saverage.py -o sig.inp sig.inp.5.2 sig.inp.5.1
files to average over: ['sig.inp.5.2', 'sig.inp.5.1']
output:  sig.inp
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 4 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938077230451309, 26.18090073013331, 26.310181153912986, 26.310993042714625, 26.099112197688747]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:17.61elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8981912  -27.01455697 -26.84688965 -26.84687896 -26.86601556]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25574017768
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.942198936678551, 26.184429637753649, 26.311342010041741, 26.311835033805728, 26.100367832488381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:11.77elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89818908 -27.01455414 -26.84688889 -26.84687822 -26.86601309]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25733345532
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.6.2', 'sig.inp.6.1']
saverage.py -o sig.inp sig.inp.6.2 sig.inp.6.1
files to average over: ['sig.inp.6.2', 'sig.inp.6.1']
output:  sig.inp
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 5 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939624433115135, 26.18150042683185, 26.310312303259561, 26.311649817357669, 26.100292538178898]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:19.57elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89837586 -27.01490293 -26.84715761 -26.84714688 -26.8664479 ]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25772359804
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935275625493169, 26.175361051904741, 26.31038105961748, 26.308580126726991, 26.10097493054225]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:12.19elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+144outputs (0major+1602minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89837777 -27.01490725 -26.84715816 -26.84714765 -26.86645005]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25373585645
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.7.2', 'sig.inp.7.1']
saverage.py -o sig.inp sig.inp.7.2 sig.inp.7.1
files to average over: ['sig.inp.7.2', 'sig.inp.7.1']
output:  sig.inp
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 6 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935603506636213, 26.175870612993968, 26.309714041969976, 26.308474185455289, 26.10072118599053]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:18.49elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89901524 -27.01650221 -26.84801928 -26.84800872 -26.86804148]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.24991471025
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935911757744279, 26.174850929338991, 26.309263825003509, 26.307620474749239, 26.10197927334308]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:12.04elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89901494 -27.01650274 -26.8480192  -26.84800866 -26.86804118]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25988558835
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.8.2', 'sig.inp.8.1']
saverage.py -o sig.inp sig.inp.8.2 sig.inp.8.1
files to average over: ['sig.inp.8.2', 'sig.inp.8.1']
output:  sig.inp
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 7 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938008275431574, 26.178235608612539, 26.308758287140609, 26.309074746223921, 26.100201369696151]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:16.94elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89924453 -27.01478216 -26.84768858 -26.84767791 -26.86637763]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25729893784
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940084574720601, 26.180871906599261, 26.309682277570278, 26.310168179687469, 26.099961877294039]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:12.28elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89924359 -27.01478024 -26.84768822 -26.84767754 -26.8663765 ]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25840453873
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.9.2', 'sig.inp.9.1']
saverage.py -o sig.inp sig.inp.9.2 sig.inp.9.1
files to average over: ['sig.inp.9.2', 'sig.inp.9.1']
output:  sig.inp
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 8 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939382146446128, 26.180162736065263, 26.310435956741003, 26.310006690700426, 26.101053525346636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:17.53elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89921968 -27.01535614 -26.84785658 -26.84784597 -26.86695877]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25636251864
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93785428187423, 26.179898909005431, 26.310833286818749, 26.309969370976901, 26.09949974270738]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:13.21elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89922064 -27.01535659 -26.84785688 -26.8478463  -26.86695985]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25273061911
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.10.2', 'sig.inp.10.1']
saverage.py -o sig.inp sig.inp.10.2 sig.inp.10.1
files to average over: ['sig.inp.10.2', 'sig.inp.10.1']
output:  sig.inp
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 9 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 9 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 9 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 9 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 9 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 9 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 9 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935694314977589, 26.178182012924914, 26.310305150009448, 26.31024841603454, 26.099871386304358]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:16.14elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89935081 -27.01598178 -26.84813973 -26.84812909 -26.86753782]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25751044614
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934429181389039, 26.176477966817789, 26.306790818290029, 26.310852949024611, 26.098070612262049]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:11.79elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89935217 -27.01598321 -26.84814055 -26.84812962 -26.86753951]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25198836876
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.11.2', 'sig.inp.11.1']
saverage.py -o sig.inp sig.inp.11.2 sig.inp.11.1
files to average over: ['sig.inp.11.2', 'sig.inp.11.1']
output:  sig.inp
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 10 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934181494935892, 26.17492655291024, 26.306749256727905, 26.310088061522272, 26.09913379646952]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:16.44elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.90039612 -27.01669486 -26.84913265 -26.84912176 -26.8682337 ]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25648725152
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939227284201689, 26.1857274606961, 26.312459795919089, 26.313595243243999, 26.097915095083401]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.05system 0:11.82elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.90039321 -27.01668745 -26.84913124 -26.84912051 -26.86823022]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25857672939
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.12.2', 'sig.inp.12.1']
saverage.py -o sig.inp sig.inp.12.2 sig.inp.12.1
files to average over: ['sig.inp.12.2', 'sig.inp.12.1']
output:  sig.inp
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 11 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941289531436304, 26.184081144916377, 26.311506043099662, 26.312516289661989, 26.100885208953915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:16.55elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89779109 -27.01516992 -26.84678748 -26.84677677 -26.86664046]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25567788645
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941161238429341, 26.183610692788399, 26.31008744222504, 26.309933790818679, 26.100078569728709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:16.51elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8977917  -27.01517045 -26.84678792 -26.8467773  -26.86664148]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25397096799
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.13.2', 'sig.inp.13.1']
saverage.py -o sig.inp sig.inp.13.2 sig.inp.13.1
files to average over: ['sig.inp.13.2', 'sig.inp.13.1']
output:  sig.inp
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 12 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940106983877619, 26.181829809492633, 26.309474433053666, 26.309301727827215, 26.100092307644438]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:17.56elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89604097 -27.01386778 -26.84519914 -26.84518852 -26.86543677]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.2497838146
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93104709253851, 26.175576831719631, 26.310694093960109, 26.309652320944959, 26.096545190514139]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:13.24elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89604536 -27.01387289 -26.84520033 -26.84518978 -26.86544144]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.26040160698
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.14.2', 'sig.inp.14.1']
saverage.py -o sig.inp sig.inp.14.2 sig.inp.14.1
files to average over: ['sig.inp.14.2', 'sig.inp.14.1']
output:  sig.inp
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 13 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93364778810329, 26.178470489076169, 26.309985015089879, 26.30989926955807, 26.095840770071192]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:18.17elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89518263 -27.01177044 -26.84405202 -26.84404142 -26.86328979]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.26050689722
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93376001583567, 26.172776161334561, 26.304291041539209, 26.306973158824029, 26.098986616223431]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:11.82elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89518277 -27.01177397 -26.84405258 -26.84404176 -26.86329031]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25125727808
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.15.2', 'sig.inp.15.1']
saverage.py -o sig.inp sig.inp.15.2 sig.inp.15.1
files to average over: ['sig.inp.15.2', 'sig.inp.15.1']
output:  sig.inp
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 14 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933634271439303, 26.17484956207819, 26.306504611670359, 26.307886062678314, 26.098040793598393]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:17.14elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89511332 -27.01330918 -26.84432699 -26.84431627 -26.86492363]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25661747764
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93955119156783, 26.177935088962109, 26.305309068981831, 26.303908212693191, 26.097647420304391]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:11.80elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1606minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89511177 -27.0133068  -26.8443269  -26.84431638 -26.86492234]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25695008415
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.16.2', 'sig.inp.16.1']
saverage.py -o sig.inp sig.inp.16.2 sig.inp.16.1
files to average over: ['sig.inp.16.2', 'sig.inp.16.1']
output:  sig.inp
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 15 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936483998762071, 26.175266023977443, 26.306864000632139, 26.30627161619412, 26.098852088639525]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:16.40elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89628036 -27.01193455 -26.8447273  -26.84471672 -26.86358687]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25614580084
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.929290011783081, 26.16778821494627, 26.303632748159249, 26.303895987989119, 26.097255737169789]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.00system 0:16.60elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89628415 -27.01194032 -26.84472878 -26.84471814 -26.86359138]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25790973493
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.17.2', 'sig.inp.17.1']
saverage.py -o sig.inp sig.inp.17.2 sig.inp.17.1
files to average over: ['sig.inp.17.2', 'sig.inp.17.1']
output:  sig.inp
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 16 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930946662898975, 26.170118930349744, 26.303231655742906, 26.305021008447092, 26.096538858708918]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:18.38elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89767102 -27.01412334 -26.84646989 -26.84645913 -26.86565555]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25727899079
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93296353226788, 26.175322417162111, 26.307860554764709, 26.309031184694138, 26.097471016802881]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.01system 0:13.52elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89766895 -27.01411954 -26.84646867 -26.84645795 -26.86565277]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.26313140419
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.18.2', 'sig.inp.18.1']
saverage.py -o sig.inp sig.inp.18.2 sig.inp.18.1
files to average over: ['sig.inp.18.2', 'sig.inp.18.1']
output:  sig.inp
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 17 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93540013695673, 26.17916754835646, 26.308940637081392, 26.309355817097497, 26.097002411902949]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:16.99elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89845919 -27.01512807 -26.84726533 -26.84725467 -26.866629  ]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25439120192
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93373713124917, 26.172507183133241, 26.306413594443679, 26.307779497481651, 26.10089179013417]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:13.23elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89845942 -27.01513217 -26.84726548 -26.84725474 -26.86662921]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25536179173
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.19.2', 'sig.inp.19.1']
saverage.py -o sig.inp sig.inp.19.2 sig.inp.19.1
files to average over: ['sig.inp.19.2', 'sig.inp.19.1']
output:  sig.inp
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 18 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935449783697365, 26.174821643940426, 26.307077167666236, 26.307737491665549, 26.100080081947404]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:16.29elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89824371 -27.01550182 -26.84709412 -26.84708344 -26.86714158]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25865694491
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.94002924788597, 26.17812473608031, 26.306800391008771, 26.308712751702661, 26.10164407985128]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.03system 0:12.33elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89824147 -27.0154991  -26.84709346 -26.84708268 -26.86713906]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25828134475
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.20.2', 'sig.inp.20.1']
saverage.py -o sig.inp sig.inp.20.2 sig.inp.20.1
files to average over: ['sig.inp.20.2', 'sig.inp.20.1']
output:  sig.inp
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 19 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.940259194927393, 26.178989016579209, 26.307680901363991, 26.30963013708887, 26.10135091569261]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.04system 0:20.26elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89822559 -27.01490759 -26.84697047 -26.84695969 -26.86654456]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25610735445
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937052096205971, 26.177459592676961, 26.30779814638311, 26.308304166113601, 26.09897126806905]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.03user 0.04system 0:13.15elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89822754 -27.01490915 -26.84697114 -26.84696047 -26.86654688]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25185643548
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.21.2', 'sig.inp.21.1']
saverage.py -o sig.inp sig.inp.21.2 sig.inp.21.1
files to average over: ['sig.inp.21.2', 'sig.inp.21.1']
output:  sig.inp
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 20 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937236661031626, 26.175557722824916, 26.306518330024211, 26.305994870030197, 26.099770107582636]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.00system 0:16.59elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89686534 -27.01407973 -26.84575512 -26.84574452 -26.86577165]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.2594322726
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.939548710887419, 26.18449357015902, 26.309232817970798, 26.311500435672329, 26.09549689746526]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:12.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89686453 -27.01407404 -26.84575469 -26.84574391 -26.86577055]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25841370801
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.22.2', 'sig.inp.22.1']
saverage.py -o sig.inp sig.inp.22.2 sig.inp.22.1
files to average over: ['sig.inp.22.2', 'sig.inp.22.1']
output:  sig.inp
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 21 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936762726150089, 26.180093664348956, 26.309985606009494, 26.311440454883133, 26.098220703295063]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:17.62elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89642283 -27.01341822 -26.84538341 -26.84537268 -26.86495004]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25554159208
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935988559911049, 26.176558058253899, 26.307358912656849, 26.308985022242631, 26.099991409312231]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:11.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89642318 -27.01342053 -26.84538376 -26.84537301 -26.86495068]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25764072644
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.23.2', 'sig.inp.23.1']
saverage.py -o sig.inp sig.inp.23.2 sig.inp.23.1
files to average over: ['sig.inp.23.2', 'sig.inp.23.1']
output:  sig.inp
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 22 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937816460651021, 26.179559541622609, 26.307954555546516, 26.309295818921129, 26.099228582376199]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:17.06elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89538662 -27.01253577 -26.84433777 -26.84432705 -26.86412726]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.26053618375
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930153099307251, 26.172153315238759, 26.307160146501669, 26.3076633058852, 26.097533980209018]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:13.07elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1602minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89539038 -27.01254142 -26.84433897 -26.84432832 -26.86413145]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25530382898
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.24.2', 'sig.inp.24.1']
saverage.py -o sig.inp sig.inp.24.2 sig.inp.24.1
files to average over: ['sig.inp.24.2', 'sig.inp.24.1']
output:  sig.inp
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 23 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931281472464061, 26.173401770029692, 26.307908839655937, 26.306512723686282, 26.09701179513516]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:17.62elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89802728 -27.0148282  -26.8468678  -26.84685727 -26.86636104]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25946249361
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941908525415819, 26.186389539879858, 26.31124327465529, 26.312286558197961, 26.09899150039524]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:12.29elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89802149 -27.01481852 -26.84686564 -26.84685493 -26.86635426]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25322643422
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.25.2', 'sig.inp.25.1']
saverage.py -o sig.inp sig.inp.25.2 sig.inp.25.1
files to average over: ['sig.inp.25.2', 'sig.inp.25.1']
output:  sig.inp
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 24 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.941995911622548, 26.185998796649368, 26.310732414760551, 26.313013131134991, 26.09999639265812]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:16.12elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89562667 -27.01327231 -26.8447043  -26.84469351 -26.86488289]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.2585456683
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936514942843431, 26.176607022645999, 26.308461186288302, 26.31036134459756, 26.10118004440492]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:12.79elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89562927 -27.01327876 -26.84470523 -26.84469447 -26.86488576]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25403853412
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.26.2', 'sig.inp.26.1']
saverage.py -o sig.inp sig.inp.26.2 sig.inp.26.1
files to average over: ['sig.inp.26.2', 'sig.inp.26.1']
output:  sig.inp
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 25 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935043038262727, 26.176571984917892, 26.308824091192051, 26.309123447924676, 26.098885165751938]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:18.90elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89521876 -27.01137461 -26.843938   -26.84392736 -26.86301259]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.24912465851
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931569843279618, 26.17787101069095, 26.309763675250569, 26.30856127542744, 26.093929610812658]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:11.70elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8952212  -27.01137463 -26.84393884 -26.84392831 -26.86301553]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25592351163
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.27.2', 'sig.inp.27.1']
saverage.py -o sig.inp sig.inp.27.2 sig.inp.27.1
files to average over: ['sig.inp.27.2', 'sig.inp.27.1']
output:  sig.inp
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 26 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931383793520851, 26.176104488092545, 26.309696499539335, 26.308971064255672, 26.096030565438809]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:16.30elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89584462 -27.01301724 -26.84490684 -26.84489628 -26.86473566]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.26024221289
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93214611645524, 26.17410653876458, 26.308318859686779, 26.309788823883999, 26.097171778573561]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:11.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89584434 -27.01301826 -26.84490683 -26.84489611 -26.86473518]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25484711203
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.28.2', 'sig.inp.28.1']
saverage.py -o sig.inp sig.inp.28.2 sig.inp.28.1
files to average over: ['sig.inp.28.2', 'sig.inp.28.1']
output:  sig.inp
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 27 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934699886394043, 26.176678109611302, 26.307619148215544, 26.309012679679398, 26.096580000441129]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:20.20elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8957752  -27.01116764 -26.84432114 -26.84431043 -26.86280658]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25838201506
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936374482685459, 26.177901318213141, 26.306259900061988, 26.306548150777271, 26.095757322031389]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:11.68elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8957751  -27.01116691 -26.8443214  -26.84431077 -26.86280684]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25414762495
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.29.2', 'sig.inp.29.1']
saverage.py -o sig.inp sig.inp.29.2 sig.inp.29.1
files to average over: ['sig.inp.29.2', 'sig.inp.29.1']
output:  sig.inp
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 28 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935336648037797, 26.177793919105262, 26.306958005989603, 26.308196929271435, 26.097150953363915]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:19.83elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89503971 -27.01139273 -26.84377829 -26.84376759 -26.86298729]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.24803477854
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93237646879146, 26.17067318952456, 26.30639476581905, 26.307563336319951, 26.100337292324451]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:12.68elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89504042 -27.0113972  -26.84377837 -26.84376767 -26.86298779]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25542259723
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.30.2', 'sig.inp.30.1']
saverage.py -o sig.inp sig.inp.30.2 sig.inp.30.1
files to average over: ['sig.inp.30.2', 'sig.inp.30.1']
output:  sig.inp
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 29 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933280589484109, 26.171805156512615, 26.304128876254151, 26.307984279011961, 26.099049142781737]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:18.35elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89607167 -27.01346082 -26.84505753 -26.84504663 -26.86513937]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.2521703938
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93846109336549, 26.176232734354869, 26.30318739066178, 26.304109839481871, 26.097635002284409]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:14.30elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89607047 -27.01345779 -26.84505755 -26.84504686 -26.86513857]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25552629064
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.31.2', 'sig.inp.31.1']
saverage.py -o sig.inp sig.inp.31.2 sig.inp.31.1
files to average over: ['sig.inp.31.2', 'sig.inp.31.1']
output:  sig.inp
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 30 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937110717196941, 26.177782889038731, 26.306073463455839, 26.307259386436222, 26.097474397603424]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.03system 0:16.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89516312 -27.01254684 -26.84421802 -26.84420732 -26.86411531]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25673056928
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93507449744094, 26.175678985618859, 26.306197882778459, 26.30687132710899, 26.097970521209049]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:13.94elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89516379 -27.01254835 -26.84421816 -26.84420749 -26.86411601]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25747841892
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.32.2', 'sig.inp.32.1']
saverage.py -o sig.inp sig.inp.32.2 sig.inp.32.1
files to average over: ['sig.inp.32.2', 'sig.inp.32.1']
output:  sig.inp
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 31 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 31 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 31 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 31 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 31 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 31 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 31 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935068074770939, 26.174178027555055, 26.304964044560798, 26.305677773327972, 26.098049623986125]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.04system 0:22.98elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89664198 -27.01343891 -26.84543299 -26.84542232 -26.86504787]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25317755273
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937087895835131, 26.179124462965749, 26.309179994405209, 26.31021775420998, 26.099102185452288]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.03user 0.02system 0:12.78elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8966399  -27.01343524 -26.84543179 -26.84542108 -26.86504505]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25873265212
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.33.2', 'sig.inp.33.1']
saverage.py -o sig.inp sig.inp.33.2 sig.inp.33.1
files to average over: ['sig.inp.33.2', 'sig.inp.33.1']
output:  sig.inp
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 32 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934938879785804, 26.176043285543525, 26.307596927137595, 26.308001645656216, 26.098802587432299]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:20.47elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89935923 -27.0156056  -26.8480413  -26.84803064 -26.86710258]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25261137473
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93693081294078, 26.181112750812041, 26.31131348723882, 26.31191445991298, 26.098908691361849]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:12.12elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89935753 -27.01560198 -26.84804033 -26.84802965 -26.8671003 ]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25751012621
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.34.2', 'sig.inp.34.1']
saverage.py -o sig.inp sig.inp.34.2 sig.inp.34.1
files to average over: ['sig.inp.34.2', 'sig.inp.34.1']
output:  sig.inp
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 33 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938348297534418, 26.182285471078309, 26.311364963053698, 26.312194771130123, 26.099196009094648]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.01system 0:16.63elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89707398 -27.01344675 -26.84585487 -26.84584418 -26.86497145]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25439192014
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934738373103059, 26.172112110113229, 26.305754431523969, 26.307742896326609, 26.102954133507861]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:13.04elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89707559 -27.01345347 -26.8458558  -26.84584502 -26.86497357]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25037468336
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.35.2', 'sig.inp.35.1']
saverage.py -o sig.inp sig.inp.35.2 sig.inp.35.1
files to average over: ['sig.inp.35.2', 'sig.inp.35.1']
output:  sig.inp
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 34 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936508759405108, 26.175925032115984, 26.306142110271182, 26.309119947721477, 26.100668640204891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.03system 0:19.02elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89542997 -27.01389857 -26.84469316 -26.84468232 -26.86550532]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25439892185
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931999210968879, 26.173717042687031, 26.30707080957437, 26.308474204686721, 26.096991876137292]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.03system 0:11.67elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89543273 -27.01390073 -26.84469402 -26.8446833  -26.86550839]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25924104711
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.36.2', 'sig.inp.36.1']
saverage.py -o sig.inp sig.inp.36.2 sig.inp.36.1
files to average over: ['sig.inp.36.2', 'sig.inp.36.1']
output:  sig.inp
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 35 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934866284992033, 26.179053331364525, 26.3085024450621, 26.30897815043474, 26.095705800271276]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.05system 0:17.08elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89414437 -27.01162957 -26.84325747 -26.84324683 -26.86328753]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25611757175
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931777302857689, 26.168804908062949, 26.302010622135409, 26.301282032175941, 26.097124836404891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.03user 0.02system 0:12.05elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8941469  -27.01163659 -26.843259   -26.84324844 -26.86329101]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25032736313
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.37.2', 'sig.inp.37.1']
saverage.py -o sig.inp sig.inp.37.2 sig.inp.37.1
files to average over: ['sig.inp.37.2', 'sig.inp.37.1']
output:  sig.inp
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 36 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931614309265036, 26.171799808295329, 26.303909981664464, 26.304310461780652, 26.09581422241423]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:16.41elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89700486 -27.01444525 -26.84597827 -26.84596762 -26.86605171]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25619763682
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935975585231141, 26.18129990662143, 26.307558006265872, 26.310103512764162, 26.094261827317819]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.05system 0:13.42elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89700241 -27.01443871 -26.84597715 -26.84596635 -26.86604864]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25838196256
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.38.2', 'sig.inp.38.1']
saverage.py -o sig.inp sig.inp.38.2 sig.inp.38.1
files to average over: ['sig.inp.38.2', 'sig.inp.38.1']
output:  sig.inp
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 37 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934729304799426, 26.179073688562919, 26.306497658970528, 26.309990429896331, 26.095217954295229]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:17.72elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89728889 -27.0146364  -26.84637055 -26.84635967 -26.86614872]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25784399299
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933293455516122, 26.17630366809399, 26.310059738561328, 26.310400461515389, 26.097140743114942]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:12.53elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89728875 -27.01463793 -26.84637001 -26.84635936 -26.86614805]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25165337352
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.39.2', 'sig.inp.39.1']
saverage.py -o sig.inp sig.inp.39.2 sig.inp.39.1
files to average over: ['sig.inp.39.2', 'sig.inp.39.1']
output:  sig.inp
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 38 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936578088336965, 26.180743229274025, 26.309607460888834, 26.310449814797487, 26.096179843024711]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.04system 0:18.38elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89595442 -27.01192492 -26.84463161 -26.84462093 -26.86346205]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25719456307
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.930884705504919, 26.17203478915506, 26.30563921702981, 26.308167395903521, 26.099358915822361]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.05system 0:12.36elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89595635 -27.01193093 -26.84463239 -26.84462158 -26.86346441]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.26221730361
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.40.2', 'sig.inp.40.1']
saverage.py -o sig.inp sig.inp.40.2 sig.inp.40.1
files to average over: ['sig.inp.40.2', 'sig.inp.40.1']
output:  sig.inp
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 39 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932184276471169, 26.171031820041275, 26.30288015768269, 26.30526217362323, 26.098207050315857]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.03user 0.02system 0:17.05elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89750957 -27.01557925 -26.84673045 -26.84671964 -26.86715262]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25303684712
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936554673285571, 26.175290863825939, 26.303395596162179, 26.304154488121181, 26.097082836281221]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.03user 0.05system 0:12.49elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89750827 -27.01557623 -26.84673018 -26.84671949 -26.86715133]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25524617396
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.41.2', 'sig.inp.41.1']
saverage.py -o sig.inp sig.inp.41.2 sig.inp.41.1
files to average over: ['sig.inp.41.2', 'sig.inp.41.1']
output:  sig.inp
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 40 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.938267557439168, 26.178022847051743, 26.304406290631192, 26.306053021080722, 26.097703859377891]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:16.85elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89525964 -27.01285245 -26.84422468 -26.84421395 -26.86449118]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25000684732
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93560508725291, 26.176464117757519, 26.30696662507955, 26.30673754176906, 26.097818902504208]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.03user 0.03system 0:14.24elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89526033 -27.01285359 -26.84422455 -26.84421395 -26.86449166]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.2521084615
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.42.2', 'sig.inp.42.1']
saverage.py -o sig.inp sig.inp.42.2 sig.inp.42.1
files to average over: ['sig.inp.42.2', 'sig.inp.42.1']
output:  sig.inp
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 41 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.9350838768841, 26.175587918264359, 26.306943240417475, 26.307011430907941, 26.09823126807709]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:18.29elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89530107 -27.01303253 -26.84442999 -26.84441936 -26.86461583]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25604171454
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.935080533314729, 26.175231861252051, 26.304892562713359, 26.306328956910061, 26.096561402861671]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.04system 0:12.45elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89530186 -27.01303297 -26.84443054 -26.84441982 -26.86461692]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25912680435
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.43.2', 'sig.inp.43.1']
saverage.py -o sig.inp sig.inp.43.2 sig.inp.43.1
files to average over: ['sig.inp.43.2', 'sig.inp.43.1']
output:  sig.inp
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 42 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932169162650098, 26.173299799634457, 26.305372882528744, 26.307493394158008, 26.096577015063048]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.02system 0:17.37elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8961585  -27.01330525 -26.84517867 -26.8451679  -26.86485945]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25883433227
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934906707787849, 26.17580404673037, 26.30787363207666, 26.306385807348772, 26.09759578052223]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.07system 0:12.16elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.896157   -27.01330326 -26.845178   -26.84516748 -26.86485772]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25794305387
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.44.2', 'sig.inp.44.1']
saverage.py -o sig.inp sig.inp.44.2 sig.inp.44.1
files to average over: ['sig.inp.44.2', 'sig.inp.44.1']
output:  sig.inp
s_oo= [25.934519455542251, 26.176487210126979, 26.308170590982158, 26.306788594073947, 26.09734184891246]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934519455542251, 26.176487210126979, 26.308170590982158, 26.306788594073947, 26.09734184891246]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 43 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934519455542251, 26.176487210126979, 26.308170590982158, 26.306788594073947, 26.09734184891246]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 43 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934519455542251, 26.176487210126979, 26.308170590982158, 26.306788594073947, 26.09734184891246]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 43 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934519455542251, 26.176487210126979, 26.308170590982158, 26.306788594073947, 26.09734184891246]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 43 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934519455542251, 26.176487210126979, 26.308170590982158, 26.306788594073947, 26.09734184891246]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 43 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934519455542251, 26.176487210126979, 26.308170590982158, 26.306788594073947, 26.09734184891246]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 43 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934519455542251, 26.176487210126979, 26.308170590982158, 26.306788594073947, 26.09734184891246]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:19.33elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89717088 -27.0140774  -26.84603204 -26.84602151 -26.86561516]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25558249224
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932502867102819, 26.17445143846729, 26.306881731072892, 26.30901954625158, 26.09834640577764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.03system 0:11.76elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1605minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89717128 -27.01407877 -26.84603213 -26.84602135 -26.86561547]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25775817681
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.45.2', 'sig.inp.45.1']
saverage.py -o sig.inp sig.inp.45.2 sig.inp.45.1
files to average over: ['sig.inp.45.2', 'sig.inp.45.1']
output:  sig.inp
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 44 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934038123506262, 26.174730887405161, 26.307191777168178, 26.309093903711279, 26.099363432440764]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.02user 0.00system 0:17.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8983877  -27.01424291 -26.84694653 -26.84693576 -26.86589326]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25545068153
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933672430924389, 26.177166906511971, 26.307943091324312, 26.309103402947532, 26.096775516503961]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.03system 0:12.05elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89838832 -27.01424166 -26.84694676 -26.84693605 -26.86589408]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25980656112
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.46.2', 'sig.inp.46.1']
saverage.py -o sig.inp sig.inp.46.2 sig.inp.46.1
files to average over: ['sig.inp.46.2', 'sig.inp.46.1']
output:  sig.inp
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 45 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934661904348083, 26.178394063016292, 26.30723902620112, 26.309181650678894, 26.09559857941381]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:18.29elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89696989 -27.01394936 -26.84595081 -26.84594005 -26.86548053]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25464506919
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937072939172861, 26.181393634324952, 26.308616472619001, 26.31112698633358, 26.096868278680041]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:12.92elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1603minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89696822 -27.01394702 -26.84595009 -26.84593929 -26.86547848]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25682784226
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.47.2', 'sig.inp.47.1']
saverage.py -o sig.inp sig.inp.47.2 sig.inp.47.1
files to average over: ['sig.inp.47.2', 'sig.inp.47.1']
output:  sig.inp
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 46 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.937723625320103, 26.181330004448583, 26.309221559733253, 26.311326762529575, 26.097765853636115]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:17.55elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89723262 -27.01345588 -26.8459248  -26.84591402 -26.8650462 ]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25697471846
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.932658280195959, 26.17601009852293, 26.30724499883155, 26.310304949375961, 26.096487182994728]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.04system 0:13.07elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89723529 -27.01345994 -26.8459258  -26.84591497 -26.86504928]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.24933386924
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.48.2', 'sig.inp.48.1']
saverage.py -o sig.inp sig.inp.48.2 sig.inp.48.1
files to average over: ['sig.inp.48.2', 'sig.inp.48.1']
output:  sig.inp
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 47 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.933369402086679, 26.178312542427953, 26.308945500883929, 26.311040112210101, 26.096656807022953]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:17.84elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89532782 -27.01180721 -26.84418149 -26.84417073 -26.86339536]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25782982068
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.936271372941601, 26.177715146094869, 26.307549580573891, 26.307132014550071, 26.097943486121441]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:16.38elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.895327   -27.01180731 -26.84418149 -26.8441709  -26.86339475]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.2570081777
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.49.2', 'sig.inp.49.1']
saverage.py -o sig.inp sig.inp.49.2 sig.inp.49.1
files to average over: ['sig.inp.49.2', 'sig.inp.49.1']
output:  sig.inp
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 48 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.93392781926174, 26.175023625816035, 26.308066535461226, 26.307004863084593, 26.098354165094971]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.04system 0:20.33elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1606minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.89501994 -27.0127487  -26.84417024 -26.84415969 -26.86433247]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25581725571
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  0 done ---------

********------ parameter change ------***********
iparams0 = {'Ntau': [1000, '# Number of imaginary time points (only for debugging)'], 'tsample': [10, '# How often to record measurements'], 'Ncout': [1000000, '# How often to print out info'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'cx': [0.0, '# Spin-orbit'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation'], 'CleanUpdate': [100000, '# How often to make clean update'], 'minM': [1e-10, '# The smallest allowed value for the atomic trace'], 'nc': [[5, 6, 7], '# Impurity occupancies'], 'minD': [1e-10, '# The smallest allowed value for the determinant'], 'ChooseRandom': [0.80000000000000004, '# How often to choose kink in random bath and how often in those with less kinks'], 'Ncorrect': [-1, '# Which baths should not be corrected'], 'nf0': [6.0, '# Double counting parameter'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'aom': [30, '# Number of frequency points used to determin the value of sigma at nom'], 'J': [0.80000000000000004, '# Hunds'], 'M': [20000000, '# Total number of Monte Carlo steps'], 'CoulombF': ["'Georges'", '# Full Coulomb repulsion'], 'beta': [160.0, '# Inverse temperature'], 'U': [5.0, '# Coulomb repulsion (F0)'], 'GlobalFlip': [10000, '# How often to try a global flip'], 'Naver': [100000000, '# How often to print out debug info'], 'Nmax': [3000, '# Maximum perturbation order allowed'], 'exe': ['ctqmc', '# Name of the executable'], 'warmup': [1000000, '# Warmup number of QMC steps'], 'SampleGtau': [1000, '# How often to update G(tau)'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed']}
/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.934129244710931, 26.175830325225409, 26.306937268078279, 26.30657238428099, 26.096815555253929]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.04system 0:11.95elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+1604minor)pagefaults 0swaps

/home/yinzping/dmft_w2k_111/bin/sjoin.py -m 1.0
case=LiFeAs, indlt=LiFeAs.dlt?, outdlt=imp.?/Delta.imp, inE=LiFeAs.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
allcols= [1 1 2 2 3 3 4 4 5 5]
noccur= [2 2 2 2 2]
icix=1 reading from: LiFeAs.dlt1 cols= [1, 2, 3, 4, 5]
icix=2 reading from: LiFeAs.dlt2 cols= [1, 2, 3, 4, 5]
icix=0 saving into: imp.0/Delta.imp cols= [1, 2, 3, 4, 5]

UpdateAtom= False
Running ----- impurity solver -----
Taking care of high frequency
Eimp= [-26.8950204  -27.01274837 -26.84417058 -26.84415999 -26.86433317]
Edc= [ 25.5  25.5  25.5  25.5  25.5]
ncorr= 6.25357231841
/home/yinzping/dmft_w2k_111/bin/sgather.py
case=LiFeAs, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5], 2: [1, 2, 3, 4, 5]}
icix=0 reading from: imp.0/sig.out cols= [1, 2, 3, 4, 5]

------- DMFT part of the step #  1 done ---------

Averaging over the following self-energies ['sig.inp.50.2', 'sig.inp.50.1']
saverage.py -o sig.inp sig.inp.50.2 sig.inp.50.1
files to average over: ['sig.inp.50.2', 'sig.inp.50.1']
output:  sig.inp
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 0 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 1 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 2 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 3 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 4 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 5 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 6 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 7 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 8 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1 

/home/yinzping/dmft_w2k_111/bin/ssplit.py -n 200 -t 300
case=LiFeAs, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [25.931978781238126, 26.17224142608314, 26.305432671964333, 26.305328363246453, 26.09718888629137]
Edc= [25.5, 25.5, 25.5, 25.5, 25.5]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]
icix= 2 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -n 72  -machinefile /tmp/48061.1.wp04/machines -port 23061 -env LD_LIBRARY_PATH /opt/intel/Compiler/11.1/072/mkl/lib/em64t/ -env OMP_NUM_THREADS 1 ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lcore 

mixer:  /home/yinzping/bin/wien2k09-/x -f LiFeAs mixer 

------- LDA(charge) step 9 49 done ---------
lapw0:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw0 

lapw1:  /home/yinzping/bin/wien2k09-/x -f LiFeAs lapw1