[Wien] lapw5.def

[Marco Schowalter]

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
---------------------------------