Dear Stefano, Thank you. I followed your suggestion and it worked perfect. Cheers, mahmoud
> 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. >> >> >> >> >> >> >> >> ------------------------------------------------------------------------------ >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> > > > > ---------------------------------------------------------------- > SISSA Webmail https://webmail.sissa.it/ > Powered by Horde http://www.horde.org/ > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
