Hi, It is clear from the message that you use only Gamma point technique for SCF, and then try calculate phonons.
Instead of "K_POINTS Gamma" you can use "K_POINTS automatic" and dividing numbers with shifts. This allows you to avoid the message you obtained, even you use 1 1 1 0 0 0 which gives only Gamma point again, Please provide your affiliation as it is accepted in this forum by default. 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 Sat, 8/16/08, zahra sadat naghavi <szs_naghavi at yahoo.com> wrote: > From: zahra sadat naghavi <szs_naghavi at yahoo.com> > Subject: [Pw_forum] error > To: Pw_forum at pwscf.org > Date: Saturday, August 16, 2008, 8:53 PM > dear all ! > what is this error in ph.x? > ?? from phq_readin : error #???????? 1 > ???? cannot start from pw.x data file using Gamma-point > tricks > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
