[Pw_forum] Trans.: problem with post processing code (paw routines)
saqib.javaid at ipcms.u-strasbg.fr
saqib.javaid at ipcms.u-strasbg.fr
Fri Feb 20 09:43:30 CET 2009
Dear Lorenzo
Thanks a lot for your help and suggestions. It seems to woking fine for the time
being.
best regards
Saqib Javaid
phd student
university of Strasbourg, France
>
On Wed, 18 Feb 2009 16:41:04 +0100, <saqib.javaid at ipcms.u-strasbg.fr> wrote:
> > I would really appreciate if you can help me solve this problem
>
> Just remove the check in PP/postproc.f90 at line 171-172 and recompile. Keep
> in mind that with PAW datasets the postprocessing has not yet been tested
> very much.
>
> BTW, why are you mixing PAW and Ultrasoft pseudopotentials?
>
> cheers
>
>
> --
> Lorenzo Paulatto
> SISSA & DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> skype: paulatz
> www: http://people.sissa.it/~paulatto/
>
> *** save italian brains ***
> http://saveitalianbrains.wordpress.com/
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