[Wien] lapw5.def
Marco Schowalter
Marco.Schowalter at ua.ac.be
Mon Aug 16 08:58:01 CEST 2004
Dear Fabella,
you should run lapw5 by "lapw5 lapw5.def". I think the "x" command is
for producing the "def" files. Therefore, of course you always got the
standard lapw5.def file.
Cheers
Marco
fabella wrote:
> Hello,
>
> I am trying to plot the Coulomb and Exchange-correlation potential with
> lapw5.def. After these potentials are calculated using R2V option in
> case.in0 I have edited the lapw5.def file in order to substitute
> case.r2v or case.vcoul for case.clmval (as instructed in the userguide).
>
> For some reason when i then run lapw5 (x lapw5) the lapw5.def reverts to
> the default lapw5.def with case.clmval instead of case.r2v or
> case.vcoul. Is there something i am missing here?
>
> Thankx
>
> Wesley
>
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--
---------------------------------
Dr. Marco Schowalter
Theoretical Study of Matter
Department of Physics
University of Antwerpen
Groenenborgerlaan 171
2020 Antwerpen
BELGIUM
Tel: +32-(0)3-2653-316
Fax: +32-(0)3-2653-318
email: Marco.Schowalter at ua.ac.be
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