TRANSPORT CODE ... setting wend=0 (after akw range select) -------------------------------- WIENKernel. Jan M. Tomczak, 2009 -------------------------------- Program launched : 4. 3.2010, 11:15 myid, nproc 2 6 external parameters : --------------------- beta [1/eV] = 38.68 T [K] = 300.00 dw0 [eV] = 0.0010 polarizations : 1 2 3 internal parameters : --------------------- energy cutoff beyond heavyside [eV] : 0.6463 energy cutoff allowance for KS cutting [eV] : 2.0000 0+ [eV] = 0.0020 will use internal Akw window wmax 2.50000000000000 Orthorhombic symmetry : response functions diagonal switching to imode=2 mode 2 : computing response tensors number of symmetries (needed for polarization dependence) 8 ef [eV] 8.34653050573798 shifting ef by [eV] 0.138199000000000 new ef [eV] 8.48472950573798 Using w-mesh with 1 special point (for metals) w0,w1-w0,meshD= 0.000000000000000E+000 1.000000000000000E-008 1.20000000000000 System : FeAs2 nk = 13320 unit-cell vol/a0^3= 617.1875 optics energy window [eV] : 0.0000 0.0000 cutoff energies : 0.646 -0.647 0.646 -5143 5153 external frequenz interval : 0.000 0.000 0 0 selfenergy input : 0 iwpmin,iwpmax -5143 5153 parallelisation table : 0 1717 1 1717 -5143 -3427 1717 1716 1718 3433 -3426 -1711 3433 1716 3434 5149 -1710 5 5149 1716 5150 6865 6 1721 6865 1716 6866 8581 1722 3437 8581 1716 8582 10297 3438 5153 myid 2 iwTstart,iwTend -1710 5 begin k-loop ------------ frequencies : 2 -1710 5 -7009 7021 1332 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.619 2.479 dim : 12 2664 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.600 2.531 dim : 12 3996 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.569 2.628 dim : 12 5328 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.534 2.750 dim : 12 6660 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.500 2.859 dim : 12 7992 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.472 2.913 dim : 12 9324 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.456 2.042 dim : 10 10656 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.452 2.239 dim : 10 11988 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.457 2.307 dim : 10 13320 ( 1/13320) wtkp= 0.00004 cutted KS range : -2.462 2.309 dim : 10 iwstart, iwend : -1710 5 done phi. now gathering data finished 4. 3.2010, 13:54