********------ parameter change ------***********
ntail = 300
********------ parameter change ------***********
finish = 50
********------ parameter change ------***********
solver = CTQMC
********------ parameter change ------***********
cc = 0.0005
********------ parameter change ------***********
ec = 0.0005
********------ parameter change ------***********
wbroad = 0.005
********------ parameter change ------***********
kbroad = 0.1
********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
********------ parameter change ------***********
fh_info = <open file 'dmft_info.out', mode 'w' at 0xd0d8b0>
***** Reading Structure file *****
Number of sorts, nat= 4
unit vectors (a,b,c) are  7.155637 7.155637 24.808325
angles betwen unit vectors are [ 90.  90.  90.]
---- over all types and atoms ----
---------- atom type 0 ------------
iatnr= -1
Position inside the unit cell, pos= [0.0, 0.0, 0.0]
Number of atoms of this type, mult= 1
Symmetry of the atom, isplit= -2
--------- Information about the current type -------------
aname= Cu         Znuc= 29.0 Rmt= 1.88
RotLoc= [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
-----------------------------------------------------------
---------- atom type 1 ------------
iatnr= -2
Position inside the unit cell, pos= [0.0, 0.0, 0.63866000000000001]
Number of atoms of this type, mult= 2
Symmetry of the atom, isplit= -2
   *** Equivalent atoms ***
    iatnr= -2     pos= [0.0, 0.0, 0.36133999999999999]
--------- Information about the current type -------------
aname= La         Znuc= 57.0 Rmt= 2.34
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= [0.5, 0.0, 0.0]
Number of atoms of this type, mult= 2
Symmetry of the atom, isplit= 8
   *** Equivalent atoms ***
    iatnr= -3     pos= [0.0, 0.5, 0.0]
--------- Information about the current type -------------
aname= O          Znuc= 8.0 Rmt= 1.67
RotLoc= [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
-----------------------------------------------------------
---------- atom type 3 ------------
iatnr= -4
Position inside the unit cell, pos= [0.0, 0.0, 0.81769999999999998]
Number of atoms of this type, mult= 2
Symmetry of the atom, isplit= -2
   *** Equivalent atoms ***
    iatnr= -4     pos= [0.0, 0.0, 0.18229999999999999]
--------- Information about the current type -------------
aname= O          Znuc= 8.0 Rmt= 1.67
RotLoc= [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]
-----------------------------------------------------------
Z= [29.0, 57.0, 57.0, 8.0, 8.0, 8.0, 8.0]

Znucs= {1: 29}
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]}
--------- Preparing GF calculation ---------
/home/haule/dmft_w2k/bin/x_dmft.py -d dmft0 >> dmft0_info.out 2>&1
 
--------- Preparing GF calculation ---------
/home/haule/dmft_w2k/bin/x_dmft.py -d dmft1 >> dmft1_info.out 2>&1
 
--------- Preparing CHR calculation ---------
/home/haule/dmft_w2k/bin/x_dmft.py -d -m 1 -x 1.0 -w 1.0 dmft2 >> ksum_info.out 2>&1
 
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:19.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+464outputs (0major+2205minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-83.44375201 -82.89311119 -83.95941597 -83.95941597 -84.29061591]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.00746256946
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.1.1']
saverage.py -o sig.inp sig.inp.1.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.199094682194314, 81.510304174984654, 77.915974612388283, 77.915728933787548, 77.359806179714695]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 0 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.199094682194314, 81.510304174984654, 77.915974612388283, 77.915728933787548, 77.359806179714695]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:18.38elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+160outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-83.89025037 -83.31383025 -84.40289117 -84.40289119 -84.73811225]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02186611297
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.2.1']
saverage.py -o sig.inp sig.inp.2.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.265741057792397, 81.68648789596034, 78.07241300951631, 78.072790791101326, 77.499870409285762]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 1 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.265741057792397, 81.68648789596034, 78.07241300951631, 78.072790791101326, 77.499870409285762]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:19.48elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+432outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-83.99802952 -83.61556694 -84.50804857 -84.50804854 -84.82792898]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02866010592
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.3.1']
saverage.py -o sig.inp sig.inp.3.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.315374857448475, 81.718249834292749, 78.127020892076715, 78.12716818519975, 77.556039521594357]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 2 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.315374857448475, 81.718249834292749, 78.127020892076715, 78.12716818519975, 77.556039521594357]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:14.47elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+128outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.1031383  -83.65208004 -84.61471576 -84.61471575 -84.94389904]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03153900874
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.4.1']
saverage.py -o sig.inp sig.inp.4.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.325766589027609, 81.733883831880775, 78.139942243151907, 78.139672133907453, 77.568189071572874]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 3 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.325766589027609, 81.733883831880775, 78.139942243151907, 78.139672133907453, 77.568189071572874]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:17.62elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+360outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.04295272 -83.72314603 -84.54998665 -84.54998667 -84.86530469]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03292953467
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.5.1']
saverage.py -o sig.inp sig.inp.5.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.356265819775942, 81.744332006675023, 78.171912159213548, 78.171937475254879, 77.602954527768048]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 4 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.356265819775942, 81.744332006675023, 78.171912159213548, 78.171937475254879, 77.602954527768048]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:17.85elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+56outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-83.89436501 -83.55763946 -84.38685429 -84.38685429 -84.68017455]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03310040188
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.6.1']
saverage.py -o sig.inp sig.inp.6.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.341348960305808, 81.731555687586706, 78.157295715286338, 78.157540032953946, 77.587223363943181]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 5 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.341348960305808, 81.731555687586706, 78.157295715286338, 78.157540032953946, 77.587223363943181]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.00system 0:17.57elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+304outputs (0major+2205minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-83.84293288 -83.60068113 -84.33225008 -84.33225007 -84.62222919]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03724950717
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.7.1']
saverage.py -o sig.inp sig.inp.7.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.361416647737229, 81.73394691498369, 78.178245315837614, 78.178178751879457, 77.610175277491336]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 6 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.361416647737229, 81.73394691498369, 78.178245315837614, 78.178178751879457, 77.610175277491336]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:17.03elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+40outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-83.81045628 -83.55776455 -84.29741586 -84.29741586 -84.58016291]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03276935863
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.8.1']
saverage.py -o sig.inp sig.inp.8.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.34266432459934, 81.720795985540406, 78.157210976803412, 78.157508486691057, 77.588069464617988]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 7 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.34266432459934, 81.720795985540406, 78.157210976803412, 78.157508486691057, 77.588069464617988]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:17.37elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+288outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-83.99832343 -83.75729784 -84.51773499 -84.51773497 -84.89083685]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03573271329
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.9.1']
saverage.py -o sig.inp sig.inp.9.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.383127637000527, 81.75039055559138, 78.199343443426912, 78.199684598071542, 77.63206498719812]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 8 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.383127637000527, 81.75039055559138, 78.199343443426912, 78.199684598071542, 77.63206498719812]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:18.02elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+528outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.06045131 -83.56962791 -84.59986193 -84.59986191 -85.01384778]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03097269952
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.10.1']
saverage.py -o sig.inp sig.inp.10.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.319370262522995, 81.731147874525035, 78.133273939227962, 78.133512706768073, 77.562032997098825]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 9 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.319370262522995, 81.731147874525035, 78.133273939227962, 78.133512706768073, 77.562032997098825]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:19.26elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+200outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.24104678 -83.69578831 -84.80449678 -84.80449677 -85.27643205]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03038652585
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.11.1']
saverage.py -o sig.inp sig.inp.11.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.319198401836445, 81.744110713586792, 78.131490468154553, 78.130606609993947, 77.559598917294238]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 10 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.319198401836445, 81.744110713586792, 78.131490468154553, 78.130606609993947, 77.559598917294238]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:17.36elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+440outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.2685304  -83.72711846 -84.83238957 -84.83238962 -85.30705889]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03097616218
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.12.1']
saverage.py -o sig.inp sig.inp.12.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.308487965944551, 81.744866661382318, 78.122060934511779, 78.121946364579685, 77.550084096005264]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 11 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.308487965944551, 81.744866661382318, 78.122060934511779, 78.121946364579685, 77.550084096005264]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:16.40elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+168outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.33175209 -83.79443486 -84.89683733 -84.89683733 -85.37665349]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02943405578
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.13.1']
saverage.py -o sig.inp sig.inp.13.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.311992371831053, 81.747420426002975, 78.126262171541612, 78.126487871710495, 77.553840168174759]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 12 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.311992371831053, 81.747420426002975, 78.126262171541612, 78.126487871710495, 77.553840168174759]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:17.88elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+400outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.34899953 -83.8236153  -84.91672144 -84.91672143 -85.40664153]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03259262237
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.14.1']
saverage.py -o sig.inp sig.inp.14.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.30912079928261, 81.744471866490045, 78.123097969707104, 78.123281103993207, 77.550343920200888]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 13 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.30912079928261, 81.744471866490045, 78.123097969707104, 78.123281103993207, 77.550343920200888]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:16.37elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+112outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.35461071 -83.83859745 -84.92090366 -84.92090365 -85.41173337]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03128319868
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.15.1']
saverage.py -o sig.inp sig.inp.15.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309831082836553, 81.744588823149584, 78.123908767117783, 78.124019367042507, 77.550918510029447]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 14 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309831082836553, 81.744588823149584, 78.123908767117783, 78.124019367042507, 77.550918510029447]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:18.85elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+360outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.34913485 -83.83703641 -84.91640456 -84.91640455 -85.41129503]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02974391193
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.16.1']
saverage.py -o sig.inp sig.inp.16.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309349273620484, 81.746385382174154, 78.12392877218339, 78.123321190286049, 77.550965071847614]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 15 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309349273620484, 81.746385382174154, 78.12392877218339, 78.123321190286049, 77.550965071847614]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:18.17elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+48outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.33412416 -83.82971109 -84.90144156 -84.90144159 -85.39952707]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02786403895
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.17.1']
saverage.py -o sig.inp sig.inp.17.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309289323102945, 81.744945476501726, 78.123852345240905, 78.124340697280843, 77.551841373040176]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 16 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309289323102945, 81.744945476501726, 78.123852345240905, 78.124340697280843, 77.551841373040176]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:18.03elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+328outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.29485291 -83.79238964 -84.8622475  -84.86224748 -85.36126889]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.0304026961
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.18.1']
saverage.py -o sig.inp sig.inp.18.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.304616792269357, 81.743630984147131, 78.12020137130142, 78.119747202960369, 77.547272506870371]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 17 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.304616792269357, 81.743630984147131, 78.12020137130142, 78.119747202960369, 77.547272506870371]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:18.40elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+40outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.28757646 -83.78583653 -84.85538669 -84.85538672 -85.35583802]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02695657623
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.19.1']
saverage.py -o sig.inp sig.inp.19.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.307102717753381, 81.757505890916136, 78.120835582299662, 78.121088972762948, 77.548434487034285]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 18 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.307102717753381, 81.757505890916136, 78.120835582299662, 78.121088972762948, 77.548434487034285]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.00system 0:15.97elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+272outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.5285236  -84.03046125 -85.09742667 -85.09742665 -85.60122992]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02936815148
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.20.1']
saverage.py -o sig.inp sig.inp.20.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.314960915128907, 81.74809723849296, 78.12910894376445, 78.129205747156462, 77.556536738591021]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 19 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.314960915128907, 81.74809723849296, 78.12910894376445, 78.129205747156462, 77.556536738591021]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:19.56elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+504outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.85609386 -84.34695464 -85.42361687 -85.42361687 -85.91969892]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03374876716
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.21.1']
saverage.py -o sig.inp sig.inp.21.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.349045621927431, 81.76072757389953, 78.166904117271116, 78.16751857794327, 77.597201837282725]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 20 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.349045621927431, 81.76072757389953, 78.166904117271116, 78.16751857794327, 77.597201837282725]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:19.11elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+200outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.88693085 -84.36631639 -85.45366307 -85.45366304 -85.94453741]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.0327418686
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.22.1']
saverage.py -o sig.inp sig.inp.22.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.316842124837336, 81.74783534439841, 78.131731368324509, 78.131572239038434, 77.559323871423558]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 21 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.316842124837336, 81.74783534439841, 78.131731368324509, 78.131572239038434, 77.559323871423558]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:17.42elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+432outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.88306579 -84.36208053 -85.4495431  -85.44954311 -85.93959661]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02842241276
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.23.1']
saverage.py -o sig.inp sig.inp.23.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.306791702357131, 81.745205534381185, 78.121106022154478, 78.121066691257198, 77.547749372543961]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 22 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.306791702357131, 81.745205534381185, 78.121106022154478, 78.121066691257198, 77.547749372543961]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:19.31elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+152outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.87518387 -84.35827986 -85.44250332 -85.44250332 -85.93576531]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03026786409
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.24.1']
saverage.py -o sig.inp sig.inp.24.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.304860037749236, 81.745812313851815, 78.119685182137587, 78.119364717135355, 77.546141880667193]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 23 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.304860037749236, 81.745812313851815, 78.119685182137587, 78.119364717135355, 77.546141880667193]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:18.46elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+392outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.89696693 -84.37893702 -85.46402454 -85.46402456 -85.95679736]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.0304793443
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.25.1']
saverage.py -o sig.inp sig.inp.25.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.301990193362215, 81.743950184661998, 78.117119432018171, 78.117169689920189, 77.543719004414498]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 24 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.301990193362215, 81.743950184661998, 78.117119432018171, 78.117169689920189, 77.543719004414498]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:20.63elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+96outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.88540915 -84.36593663 -85.4522827  -85.4522827  -85.9440612 ]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02987427366
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.26.1']
saverage.py -o sig.inp sig.inp.26.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.303217868216265, 81.746142999274824, 78.117442756752681, 78.118084957865861, 77.545200360539837]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 25 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.303217868216265, 81.746142999274824, 78.117442756752681, 78.118084957865861, 77.545200360539837]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:16.47elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+328outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.88134973 -84.36109398 -85.44761126 -85.44761122 -85.93704957]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03120767782
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.27.1']
saverage.py -o sig.inp sig.inp.27.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.299437074466425, 81.743178293306585, 78.114261145893835, 78.114186666246269, 77.540524013460626]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 26 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.299437074466425, 81.743178293306585, 78.114261145893835, 78.114186666246269, 77.540524013460626]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.00system 0:19.21elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+56outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.8728981  -84.35126864 -85.43901286 -85.43901287 -85.92774684]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02814988887
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.28.1']
saverage.py -o sig.inp sig.inp.28.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.29951189557093, 81.742762028975719, 78.113957558326007, 78.113785777409461, 77.540748583059127]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 27 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.29951189557093, 81.742762028975719, 78.113957558326007, 78.113785777409461, 77.540748583059127]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:19.23elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+280outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.85640238 -84.3325731  -85.4226232  -85.42262321 -85.91162901]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03089347226
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.29.1']
saverage.py -o sig.inp sig.inp.29.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.303987727860672, 81.745346176278872, 78.118366859265834, 78.118648161822847, 77.545124472128634]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 28 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.303987727860672, 81.745346176278872, 78.118366859265834, 78.118648161822847, 77.545124472128634]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:18.15elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+40outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.86219187 -84.3415445  -85.42872078 -85.42872076 -85.91944909]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02913289893
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.30.1']
saverage.py -o sig.inp sig.inp.30.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.30376522406371, 81.745753712607168, 78.118848381567531, 78.119105716198561, 77.546123896107488]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 29 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.30376522406371, 81.745753712607168, 78.118848381567531, 78.119105716198561, 77.546123896107488]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.02system 0:16.91elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+256outputs (0major+2203minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.89900204 -84.38098666 -85.46754127 -85.46754125 -85.96295407]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.0299247927
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.31.1']
saverage.py -o sig.inp sig.inp.31.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309581441637079, 81.749153210939895, 78.124231702061735, 78.124343477678437, 77.551645171337654]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 30 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309581441637079, 81.749153210939895, 78.124231702061735, 78.124343477678437, 77.551645171337654]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:18.85elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+496outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.89081134 -84.3793984  -85.46116932 -85.46116932 -85.96279294]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02795976835
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.32.1']
saverage.py -o sig.inp sig.inp.32.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.305881502841018, 81.747497530671751, 78.120729550019888, 78.120832257148237, 77.547838692045602]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 31 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.305881502841018, 81.747497530671751, 78.120729550019888, 78.120832257148237, 77.547838692045602]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:17.62elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+184outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.87974956 -84.36953005 -85.45014023 -85.45014023 -85.95238301]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02897018662
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.33.1']
saverage.py -o sig.inp sig.inp.33.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.306719932361119, 81.74792505227137, 78.12145494585063, 78.121736883217437, 77.548320605332421]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 32 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.306719932361119, 81.74792505227137, 78.12145494585063, 78.121736883217437, 77.548320605332421]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:16.80elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+440outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.88266843 -84.37197294 -85.45279481 -85.45279479 -85.95436998]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02900795832
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.34.1']
saverage.py -o sig.inp sig.inp.34.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.307297050280681, 81.747441183844813, 78.121885395189381, 78.122151700573767, 77.549030450144784]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 33 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.307297050280681, 81.747441183844813, 78.121885395189381, 78.122151700573767, 77.549030450144784]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:17.20elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+136outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.84535342 -84.34179782 -85.41460883 -85.41460881 -85.91602542]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.03045502117
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.35.1']
saverage.py -o sig.inp sig.inp.35.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.305030322095533, 81.744177916091147, 78.119774534979356, 78.119984973279912, 77.546545347631536]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 34 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.305030322095533, 81.744177916091147, 78.119774534979356, 78.119984973279912, 77.546545347631536]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:17.95elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+408outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.81079763 -84.30850254 -85.38024819 -85.38024817 -85.88246919]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02892512296
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.36.1']
saverage.py -o sig.inp sig.inp.36.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.304893996169781, 81.745341098059512, 78.119988882866068, 78.120499444838416, 77.547364420328336]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 35 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.304893996169781, 81.745341098059512, 78.119988882866068, 78.120499444838416, 77.547364420328336]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:18.07elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+96outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.78799009 -84.27873509 -85.35799881 -85.35799878 -85.8599449 ]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02938870946
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.37.1']
saverage.py -o sig.inp sig.inp.37.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.302131891186448, 81.74390875398494, 78.117061773156109, 78.117735280734749, 77.543996868433496]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 36 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.302131891186448, 81.74390875398494, 78.117061773156109, 78.117735280734749, 77.543996868433496]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.00user 0.01system 0:18.08elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+312outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.78098613 -84.27204203 -85.35103523 -85.35103519 -85.85324666]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02910234777
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.38.1']
saverage.py -o sig.inp sig.inp.38.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.304816154211522, 81.745591402075391, 78.11953520343107, 78.119717453707793, 77.546487557616601]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 37 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.304816154211522, 81.745591402075391, 78.11953520343107, 78.119717453707793, 77.546487557616601]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.02system 0:17.49elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+48outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.80143604 -84.29858343 -85.37086582 -85.37086581 -85.87310999]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02800260774
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.39.1']
saverage.py -o sig.inp sig.inp.39.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.310438283979408, 81.747701054154618, 78.125531879714174, 78.124940064089188, 77.552226398271969]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 38 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.310438283979408, 81.747701054154618, 78.125531879714174, 78.124940064089188, 77.552226398271969]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.01system 0:19.74elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+280outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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= [-84.807451   -84.30393033 -85.37670181 -85.37670185 -85.87837743]
Edc= [ 82.2  82.2  82.2  82.2  82.2]
ncorr= 9.02950105502
/home/haule/dmft_w2k/bin/sgather.py
case=La2CuO4, isig=imp.?/sig.out, osig=sig.inp
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [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 ---------

Averaging over the following self-energies ['sig.inp.40.1']
saverage.py -o sig.inp sig.inp.40.1
 /bin/sh: saverage.py: command not found

/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309487167760906, 81.747552076852045, 78.123649682827491, 78.123361753174009, 77.550331852095411]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

dmft2:  /usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft2 dmft2.def >> dmft2_info.out 
lcore:  /home/haule/wien_111/x -f La2CuO4 lcore 

mixer:  /home/haule/wien_111/x -f La2CuO4 mixer 

------- LDA(charge) step 0 39 done ---------
lapw0:  /home/haule/wien_111/x -f La2CuO4 lapw0 

lapw1:  /home/haule/wien_111/x -f La2CuO4 lapw1 

********------ parameter change ------***********
iparams0 = {'Nmax': [500, '# Maximum perturbation order allowed'], 'nom': [200, '# Number of Matsubara frequency points sampled'], 'exe': ['ctqmc', '# Name of the executable'], 'tsample': [1000, '# How often to record measurements'], 'nomD': [100, '# Number of Matsubara frequency points sampled'], 'PChangeOrder': [0.90000000000000002, '# Ratio between trial steps: add-remove-a-kink / move-a-kink'], 'Ncout': [200000, '# How often to print out info'], 'J': [0.69999999999999996, '# Hunds'], 'M': [10000000.0, '# Total number of Monte Carlo steps'], 'beta': [50.0, '# Inverse temperature'], 'U': [10.0, '# Coulomb repulsion (F0)'], 'warmup': [500000, '# Warmup number of QMC steps'], 'nf0': [9.0, '# Double counting parameter'], 'OCA_G': [False, '# No OCA diagrams being computed - for speed'], 'HB2': [True, '# Should we compute self-energy with the Bullas trick?'], 'aom': [5, '# Number of frequency points used to determin the value of sigma at nom'], 'sderiv': [0.02, '# Maximum derivative mismatch accepted for tail concatenation']}
/home/haule/dmft_w2k/bin/ssplit.py -n 200 -t 300
case=La2CuO4, nom=200, ntail=300, insig=sig.inp, outsig=sig.inp[1-n]
s_oo= [78.309487167760906, 81.747552076852045, 78.123649682827491, 78.123361753174009, 77.550331852095411]
Edc= [82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003, 82.200000000000003]
..... Creating logarithmic mesh
..... Going over all correlated blocks
icix= 1 cols= [1, 2, 3, 4, 5]

Running ---- ksum -----
/usr/bin/time /opt/mpich2/intel/11.1/bin/mpiexec  -port 21074 -np 120 -machinefile /tmp/21074.1.wp12_hp/machines -env OMP_NUM_THREADS 1 -envlist  LD_LIBRARY_PATH,SCRATCH,WIEN_DMFT_ROOT,PYTHONPATH,WIENROOT ./dmft dmft1.def >> dmft1_info.out 
 0.01user 0.00system 0:18.61elapsed 0%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+40outputs (0major+2204minor)pagefaults 0swaps

/home/haule/dmft_w2k/bin/sjoin.py -m 1.0
case=La2CuO4, indlt=La2CuO4.dlt?, outdlt=imp.?/Delta.imp, inE=La2CuO4.Eimp?, outE=imp.?/Eimp.inp, m_extn=
icols= {0: [1, 2, 3, 4, 5]}
cols= {1: [1, 2, 3, 4, 5]}
allcols= [1 2 3 4 5]
noccur= [1 1 1 1 1]
icix=1 reading from: La2CuO4.dlt1 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 -----