[Wien] problem with lapw1c

[Peter Blaha]

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
>
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-- 

                                       P.Blaha
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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/
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