ifSP = F ifSO = F -------------------------------- WIENKernel. Jan M. Tomczak, 2010 -------------------------------- Program launched : 25. 4.2011, 14:25 myid, nproc 38 48 external parameters : --------------------- beta [1/eV] = 10.00 T [K] = 1160.45 dw0 [eV] = 0.0100 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] = 0.0400 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 -2.510 2.497 -477 483 external frequenz interval : 0.000 0.000 0 0 selfenergy input : 1 iwpmin,iwpmax -477 483 parallelisation table : 0 21 1 21 -477 -457 21 20 22 41 -456 -437 41 20 42 61 -436 -417 61 20 62 81 -416 -397 81 20 82 101 -396 -377 101 20 102 121 -376 -357 121 20 122 141 -356 -337 141 20 142 161 -336 -317 161 20 162 181 -316 -297 181 20 182 201 -296 -277 201 20 202 221 -276 -257 221 20 222 241 -256 -237 241 20 242 261 -236 -217 261 20 262 281 -216 -197 281 20 282 301 -196 -177 301 20 302 321 -176 -157 321 20 322 341 -156 -137 341 20 342 361 -136 -117 361 20 362 381 -116 -97 381 20 382 401 -96 -77 401 20 402 421 -76 -57 421 20 422 441 -56 -37 441 20 442 461 -36 -17 461 20 462 481 -16 3 481 20 482 501 4 23 501 20 502 521 24 43 521 20 522 541 44 63 541 20 542 561 64 83 561 20 562 581 84 103 581 20 582 601 104 123 601 20 602 621 124 143 621 20 622 641 144 163 641 20 642 661 164 183 661 20 662 681 184 203 681 20 682 701 204 223 701 20 702 721 224 243 721 20 722 741 244 263 741 20 742 761 264 283 761 20 762 781 284 303 781 20 782 801 304 323 801 20 802 821 324 343 821 20 822 841 344 363 841 20 842 861 364 383 861 20 862 881 384 403 881 20 882 901 404 423 901 20 902 921 424 443 921 20 922 941 444 463 941 20 942 961 464 483 myid 38 iwTstart,iwTend 284 303 begin k-loop ------------ frequencies : 38 284 303 -726 734 902 ( 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 25. 4.2011, 15:28