Hi, How should I set up npool for nscf? Shall I use an integer which is divided exactly by the number of K_POINTS in scf or an integer which is divided exactly by the number of k points along the k-path I choose for the band structure?
Shu NCSU PHD Physics On Wed, Apr 13, 2011 at 1:40 PM, Paolo Giannozzi <giannozz at democritos.it>wrote: > > On Apr 13, 2011, at 14:10 , Eduardo Ariel Menendez Proupin wrote: > > > Does it makes sense to use npool in a non self consistent calculation > > (for DOS) with pw.x ? > > it should - P. > > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > 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/20110413/6030fc62/attachment.htm
