I think my trouble is from the atomic positions, since I am trying to model a strained crystal. The manual says that could cause the error. I just thought it was odd that the scf calculation had no trouble. I made the convergence threshold (ethr) more stringent for the nscf and there was no error this time. Does that make any sense?
Thanks, Luke eyvaz_isaev at yahoo.com wrote: >Just one addition. I mean /Doc and users-gide.tex for >v3.1. They might be different for others. > >Bests, >Eyvaz. > > > >--- Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote: > > > >>Hi, >> >>Please have a look at page 52 of the users guide in >>/Doc. If you do not have a users-guide.pdf file >>just >>type pdflatex users-guide.tex. >> >>Bests, >>Eyvaz. >> >> >>--- Luke Thulin <lukethulin at netscape.net> wrote: >> >> >> >>>Hello everyone, >>> >>>Does anyone know the cause of this: >>> >>>from cdiaghg : error # 195 >>>info =/= 0 >>> >>>The scf calculation was successful but the nscf >>>calculation terminated >>>almost immediately with this error. >>> >>>Thanks, >>>Luke >>>_______________________________________________ >>>Pw_forum mailing list >>>Pw_forum at pwscf.org >>>http://www.democritos.it/mailman/listinfo/pw_forum >>> >>> >>> >>__________________________________________________ >>Do You Yahoo!? >>Tired of spam? Yahoo! Mail has the best spam >>protection around >>http://mail.yahoo.com >>_______________________________________________ >>Pw_forum mailing list >>Pw_forum at pwscf.org >>http://www.democritos.it/mailman/listinfo/pw_forum >> >> >> > > >__________________________________________________ >Do You Yahoo!? >Tired of spam? Yahoo! Mail has the best spam protection around >http://mail.yahoo.com >_______________________________________________ >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: /pipermail/attachments/20060724/de37d4ae/attachment.htm
