[Pw_forum] Trans.: problem with post processing code (paw routines)
Lorenzo Paulatto
paulatto at sissa.it
Wed Feb 18 16:47:21 CET 2009
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
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Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
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