ifSP = F ifSO = F -------------------------------- WIENKernel. Jan M. Tomczak, 2010 -------------------------------- Program launched : 15. 6.2011, 1:46 myid, nproc 10 20 external parameters : --------------------- beta [1/eV] = 10.00 T [K] = 1160.45 dw0 [eV] = 0.0010 polarizations : 1 2 3 some internal parameters : --------------------- energy cutoff beyond heavyside [eV] : 2.5000 energy cutoff allowance for KS cutting [eV] : 2.0000 0+ [eV] = 0.0040 will use internal Akw window wmax 5.0000000000000000 Orthorhombic symmetry : response functions diagonal switching to imode=2 mode 2 : computing response tensors number of symmetries 12 fsigname=sig.inp1 case=FeSi fenergy=FeSi.energy fUdmft=Udmft. Using w-mesh with 1 special point (for metals) w0,w1-w0,meshD= 0.0000000000000000 1.00000000000000008E-005 1.00000000000000000 System : FeSi nk = 9020 unit-cell vol/a0^3= 612.0768 optics energy window [eV] : 0.0000 0.0000 ef [eV] = 0.0000000000000000 cutoff energies : 2.500 -2.501 2.500 -4062 4066 external frequenz interval : 0.000 0.000 0 0 selfenergy input : 1 iwpmin,iwpmax -4062 4066 parallelisation table : 0 407 1 407 -4062 -3656 407 407 408 814 -3655 -3249 814 407 815 1221 -3248 -2842 1221 407 1222 1628 -2841 -2435 1628 407 1629 2035 -2434 -2028 2035 407 2036 2442 -2027 -1621 2442 407 2443 2849 -1620 -1214 2849 407 2850 3256 -1213 -807 3256 407 3257 3663 -806 -400 3663 406 3664 4069 -399 6 4069 406 4070 4475 7 412 4475 406 4476 4881 413 818 4881 406 4882 5287 819 1224 5287 406 5288 5693 1225 1630 5693 406 5694 6099 1631 2036 6099 406 6100 6505 2037 2442 6505 406 6506 6911 2443 2848 6911 406 6912 7317 2849 3254 7317 406 7318 7723 3255 3660 7723 406 7724 8129 3661 4066 myid 10 iwTstart,iwTend 7 412 begin k-loop ------------ frequencies : 10 7 412 -6561 6567 902 ( 1/ 9020) wtkp= 24.00000 cutted KS range : -2.439 21.226 dim : 46 1804 ( 1/ 9020) wtkp= 24.00000 cutted KS range : -2.020 21.128 dim : 44 2706 ( 1/ 9020) wtkp= 24.00000 cutted KS range : -42.693 20.945 dim : 45 3608 ( 1/ 9020) wtkp= 24.00000 cutted KS range : -42.690 21.183 dim : 44 4510 ( 1/ 9020) wtkp= 24.00000 cutted KS range : -42.694 20.961 dim : 44 5412 ( 1/ 9020) wtkp= 12.00000 cutted KS range : -42.689 20.846 dim : 43 6314 ( 1/ 9020) wtkp= 24.00000 cutted KS range : -42.690 20.287 dim : 43 7216 ( 1/ 9020) wtkp= 24.00000 cutted KS range : -42.690 21.185 dim : 44 8118 ( 1/ 9020) wtkp= 24.00000 cutted KS range : -42.690 21.086 dim : 44 9020 ( 1/ 9020) wtkp= 1.00000 cutted KS range : -42.694 20.625 dim : 49 done phi. now gathering data finished 15. 6.2011, 19:50