Dear All please help me, i am doing the SCF for the BaAlSiH compound but when they ask from me the K-points, so when i give the K-points this give me this error
0.161u 0.010s 0:07.86 2.1% 0+0k 0+0io 0pf+0w -----> continue with kgen or edit the BaAlSiH.inst file and rerun lstart (c/e) c -----> in BaAlSiH.in1_st select RKmax ( usually 5.0 - 9.0 ) -----> in BaAlSiH.in2_st select LM's, GMAX and Fermi-Energy method > inputfiles prepared (15:00:32) > inputfiles for lapw1c/2c prepared, no inversion present (15:00:32) > kgen (15:00:32) 6 symmetry operations without inversion inversion added (non-spinpolarized non-so calculation) NUMBER OF K-POINTS IN WHOLE CELL: (0 allows to specify 3 divisions of G) 200 length of reciprocal lattice vectors: 0.891 0.891 0.638 6.535 6.535 4.683 24 k-points generated, ndiv= 6 6 4 KGEN ENDS 0.003u 0.002s 0:03.65 0.0% 0+0k 0+0io 0pf+0w -----> check in BaAlSiH.klist number of generated K-points -----> continue with dstart or execute kgen again or exit (c/e/x) c > dstart -c (15:00:39) forrtl: severe (24): end-of-file during read, unit >81, file /data/new/azam/BaAlSiH/BaAlSiH.rsp Image PC Routine Line Source dstart 00000000004C179D Unknown Unknown Unknown dstart 00000000004C02A5 Unknown Unknown Unknown dstart 0000000000466650 Unknown Unknown Unknown dstart 000000000042ED3A Unknown Unknown Unknown dstart 000000000042E530 Unknown Unknown Unknown dstart 000000000044322C Unknown Unknown Unknown dstart 000000000040F57B init_ 96 init.f dstart 000000000040E26D MAIN__ 9 dstart.f dstart 00000000004035AC Unknown Unknown Unknown libc.so.6 00000032F561D994 Unknown Unknown Unknown dstart 00000000004034B9 Unknown Unknown Unknown 0.002u 0.000s 0:00.01 0.0% 0+0k 0+0io 2pf+0w error: command /home/azam1/WIEN2k111-lopw/dstart dstart.def failed stop error [azam1@hpc BaAlSiH]$ with regards sikander
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