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 > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090211/1ee69585/attachment.htm
