Hi Adam, Most likely, you mean matdyn.x, but not dynmat.x.
If you mean a message like "TO-LO splitting at q=0 will be absent!" then you should note that there is a message about missing of Z_star (Born effective charge) that really makes TO_LO calculations impossible. But this is the case for a metallic system, not semiconducting or insulating. Simply the program tells you have no Z_star (as you have a metallic system), and TO-LO calculations are omitted. If you have a metallic system this message is harmless. 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, 12/27/08, Adam Jacobsson <adams_mejl at hotmail.com> wrote: > From: Adam Jacobsson <adams_mejl at hotmail.com> > Subject: Re: [Pw_forum] dynmat.x > To: pw_forum at pwscf.org > Date: Saturday, December 27, 2008, 2:40 AM > Hi again! > > My first thought was that the program wanted the direction > from where to approach the gamma point as a limit. Is that > the case? > > Best Regards, > Adam > > > > From: adams_mejl at hotmail.comTo: pw_forum at pwscf.orgDate: > Sat, 27 Dec 2008 00:31:46 +0100Subject: [Pw_forum] dynmat.x > > Hi! I have a small trouble with the dynmat.x program. When > I try to run the program for the gamma point it complains > that I have not supplied a direction for q and that the > TO-LO splitting therefore not will be available. ' I > thought that setting the setting q(i)=0 for i = 1,2,3 was to > supply a direction for q? Best Regards,Adam JAcobsson > > > > Best?ll bl?ck f?re 19 f?r leverans n?sta vardag > inkClub > _________________________________________________________________ > Senaste sportnyheterna & rykande f?rska resultat! > http://sport.msn.se/_______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum