Hi Mateus, it works!!! Thank you very much!!! Ary Junior
On Wed, Feb 11, 2009 at 2:10 PM, MATEUS JOS? FERNANDES MARTINS < mjfmartins at ice.ufjf.br> wrote: > Ary, > > Your scf calculation is configured with the variable "nosym = . false ". > Change, set true. > > Mateus. > > 2009/2/10 Ary Junior <aryjunior at gmail.com> > >> Hello, >> >> I have a very large system and I must do a phonon calculation. This >> calculation takes months, so I want to do with only few atoms. But the >> variable nat_todo seems to not work. When I enable the variable for a little >> system, it only makes the calculation ph.x to the atoms that I ask, but with >> my system of interest, no matter if I insert nat_todo, nrapp or maxirr, it >> continues making 3*n representations. >> >> Thanks very much! >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090212/542b21d2/attachment.htm
