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/
