Dear Fereydoon, Why dou you think Al is bcc in example03? What is your argument for this? In this example A(001) slab with tetragonal (ibrav=6) symmetry is examined.
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, 12/8/08, fereydoon khazali <frnkhzi at yahoo.com> wrote: > From: fereydoon khazali <frnkhzi at yahoo.com> > Subject: [Pw_forum] example03 > To: pw_forum at pwscf.org > Date: Monday, December 8, 2008, 5:05 PM > dear all > Al is fcc but in example03 seems to be bcc. why? > F. kh > Azad univ. of omidieh , iran > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
