Dear Paolo Giannozzi, Thank you so much for your helps, I have solved problem and created the structure.
2012/7/5 Paolo Giannozzi <giannozz at democritos.it> > > On Jul 5, 2012, at 13:04 , Ay?a K?ra?as? wrote: > > > Altough I tried so hard, I couldn't set up unit cell of B-GaSe in > > Pwscf > > had you tried so hard, you would have noticed that there is something > strange in the third column of your atomic positions: the numbers run > from 0.1 to 0.9 in units of the lattice parameter a=3.73A, while your > third lattice vector is c=15.9A long > > 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/20120705/a40d0712/attachment.htm
