ifSP = F ifSO = F ---------------------------- WIENOP. Jan M. Tomczak, 2010 ---------------------------- Program launched : 19. 5.2011, 0:11 myid, nproc 0 1 external parameters : --------------------- beta [1/eV] = 60.00 dw0 [eV] = 0.0050 polarizations : 1 2 3 self-energy 2 internal parameters : --------------------- energy cutoff beyond heavyside [eV] : 0.0000 energy cutoff allowance for KS cutting [eV] : 0.0000 minimal 0+ [eV] (correl/free) = 0.0050 0.0100 will use internal Akw window wmax 0.500000000000000 k-dependent output : 0 full symmetrization of iBZ : 1 pure OPTICS mode mode 0 : Spectrum Aw only krange of this proc : 1 451 reading DMFT chemcical potential ... from inp.ef !!! Using w-mesh with 1 special point (for metals) w0,w1-w0,meshD= 0.000000000000000E+000 1.000000000000000E-003 0.300000000000000 System : FeSi nk = 451 unit-cell vol/a0^3= 612.0768 optics energy window [eV] : 0.0000 0.5000 "LDA" ef [eV] (see below for shifts) = 0.000000000000000E+000 reading vk symmetries number of symmetries 12 fsigname= sig.inp1 case=FeSi fenergy=FeSi.energy fUdmft=Udmft. wanted to shift by 0.000000000000000E+000 shifting origin by 0 2.220823595859466E-317 3000 cutoff energies : 0.000 -0.001 0.000 -1 0 external frequenz interval : 0.000 0.499 0 137 begin k-loop of ineqv spin 1 ----------------------------- 1 ( 1/ 451) wtkp= 1.00000 cutted KS range : -2.470 20.989 dim : 47 2 ( 1/ 451) wtkp= 6.00000 cutted KS range : -2.454 21.401 dim : 47 3 ( 1/ 451) wtkp= 6.00000 cutted KS range : -2.404 20.777 dim : 44