Dear Sharma, Please have a look a /Doc/INPUT_PW.txt and example files in /examples. You will be surprized, there are lots of examples.
Bests, Eyvaz. ------------------------------------------------------------------- Prof. Eyvaz Isaev, Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com --- On Mon, 4/13/09, dev sharma <devsharma1983 at yahoo.co.in> wrote: > From: dev sharma <devsharma1983 at yahoo.co.in> > Subject: Re: [Pw_forum] (no subject) > To: "PWSCF Forum" <pw_forum at pwscf.org> > Date: Monday, April 13, 2009, 8:04 AM > hi, there is one DOC-def folder in pwscf and there is one > file of making the inputs file for SCF calucltaion, there u > will find the meaning of all the parameters likhe > ecut_conv_thr etc > tc > Dev Sharma > --- On Thu, 9/4/09, Dimpy Sharma > <dimpy.sharma at tyndall.ie> wrote: > > > From: Dimpy Sharma <dimpy.sharma at tyndall.ie> > Subject: [Pw_forum] (no subject) > To: pw_forum at pwscf.org > Date: Thursday, 9 April, 2009, 5:17 PM > > > > > Hi > Can anybody please tell me the difference meaning of > ecut_conv_thr and forc_conv_thr > -----Inline Attachment Follows----- > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > > Add more friends to your messenger and enjoy! Go to > http://messenger.yahoo.com/invite/_______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
