ifSP = F ifSO = F -------------------------------- WIENKernel. Jan M. Tomczak, 2010 -------------------------------- Program launched : 5. 5.2011, 10:10 myid, nproc 3 20 external parameters : --------------------- beta [1/eV] = 10.00 T [K] = 1160.45 dw0 [eV] = 0.0020 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] = 0.0080 will use internal Akw window wmax 5.00000000000000 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= 0.000000000000000E+000 1.000000000000000E-005 1.00000000000000 System : FeSi nk = 9020 unit-cell vol/a0^3= 612.0768 optics energy window [eV] : 0.0000 0.0000 ef [eV] = 0.000000000000000E+000 cutoff energies : 2.500 -2.502 2.500 -2140 2145 external frequenz interval : 0.000 0.000 0 0 selfenergy input : 1 iwpmin,iwpmax -2140 2145 parallelisation table : 0 215 1 215 -2140 -1926 215 215 216 430 -1925 -1711 430 215 431 645 -1710 -1496 645 215 646 860 -1495 -1281 860 215 861 1075 -1280 -1066 1075 215 1076 1290 -1065 -851 1290 214 1291 1504 -850 -637 1504 214 1505 1718 -636 -423 1718 214 1719 1932 -422 -209 1932 214 1933 2146 -208 5 2146 214 2147 2360 6 219 2360 214 2361 2574 220 433 2574 214 2575 2788 434 647 2788 214 2789 3002 648 861 3002 214 3003 3216 862 1075 3216 214 3217 3430 1076 1289 3430 214 3431 3644 1290 1503 3644 214 3645 3858 1504 1717 3858 214 3859 4072 1718 1931 4072 214 4073 4286 1932 2145 myid 3 iwTstart,iwTend -1495 -1281 begin k-loop ------------ frequencies : 3 -1495 -1281 -3389 3396 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 5. 5.2011, 14:53