Prof. GIannozzi, thank you very much. It is really helpful to me.
-- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea At 2012-01-07 17:11:01,"Paolo Giannozzi" <giannozz at democritos.it> wrote: > >On Jan 7, 2012, at 2:35 , GAO Zhe wrote: > >> Is it possible to use conjugate gradient in ph.x ? > >edit routine "set_defaults_pw.f90", change "isolve=0" to >"isolve=1", recompile > >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/20120107/514b76d1/attachment.htm