Hi, Paolo Thanks for your help.I understand now. Bests Pine 2011/9/9 Paolo Giannozzi <giannozz at democritos.it>
> > On Sep 9, 2011, at 12:42 , lucking-pine wrote: > > > Zn Zn O O. > > But the phdos.in of AlAs of example is > > Al As, > > and is not > > Al Al As As. > > Why? > > wurtzite ZnO? 4 atoms per unit cell. Zincblende AlAs? > 2 atoms per unit cell. What does the code expects in > input? > > 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/20110909/e8bf083b/attachment-0001.htm
