what is the basis of the Bravais lattive of your crystal? S. On Jun 4, 2010, at 3:25 PM, Payam Norouzzadeh wrote:
> Thank you Prof.Baroni for your reply. > > Actually I used both Xcrysden and Jmol to visualize the structure. The result > was good and also I compared the result with > available pictures of that structure in literature.One problem is that the > positions like 0 0 0 and 0.5 0.5 0.5 are considered overlapped > in this structure by QE probably because of symmetry. > > Best regards,Payam Norouzzadeh > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100604/1b92ed2b/attachment.htm
