That should be ok. With the latest WIEN2k versions x lapw1 x lapw1 -c x lapw1c
will all work and should call the program lapw1c internally. (The x scipt should recognice itself that inversion is not present. Am 19.11.2010 15:52, schrieb Amilcar Meneses Viveros: > > We are running WIEN2k 2010 in Linux (binary version). > > We have the this problem: > > We are trying to run a example without inverse symmetry (GaAs). > > The Wien2k generate the file $case.in1c and in2.c , but in the script > run_lapw in the part > > lapw1c: > .... > total_exec lapw1 $it0 -c $para $nohns $readHinv0 > > the script run the lapw1 command. > > We have notice that in the 2009 version and in this part the script is > > total_exec lapw1c $it0 -c $para $nohns $readHinv0 > > What I mean is, you say that in the case of $case.in1c we must run with > lapw1c but the script run_lapw > try to execute lapw1, is this correct or I would change lapw1 for lapw1c. > > Well, in addition, we have made this change, but always appear the next error > (with or whitout lapw1c). > > LAPW1 END >> Stop error > > And when we trace the program, the error appear in the line > total_exec lapw1c $it0 -c $para $nohns $readHinv0 > > Any idea? > > Regards > Amilcar > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- P.Blaha -------------------------------------------------------------------------- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-15671 FAX: +43-1-58801-15698 Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/ --------------------------------------------------------------------------