[Pw_forum] on nosym=.true.

Stefano de Gironcoli degironc at sissa.it
Thu Nov 25 07:14:18 CET 2010


Dear Mahmoud Payami,
   are you specifing calc='vc-relax' in the &control namelist ?
   otherwise the code will skip the CELL part.
   I thnk that one should specify cell_dofree="z" (with z into quotation marks)

stefano

Quoting Mahmoud Payami <mpayami at aeoi.org.ir>:

> Dear Eyvaz,
> Thank you very much for "cell_dofree" switch. I looked at INPUT_PW   
> and added "cell_dofree=z" in the &CELL namelist but in the output   
> file I noticed that it is ignored with the message:
> Warning: card &CELL ignored
> Warning: card    CELL_DOFREE=z ignored
>
> Am I committing a mistake in using that?
> Bests,
> mahmoud
>
>   If you mean changes only along Z-direction add cell_dofree=z. For   
> ore info please  have a look at INPUT_PW,txt in /Doc.
>
>   Bests,
>   Eyvaz.
>
>
>
>
>
>
>
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