On Mar 23, 2010, at 10:00 AM, Jiayu Dai wrote: > >>> >> omega is the volume of the unit cell which in FCC is not alat^3 but 1/4 >> of alat^3 >> > > OK, thank you, Stefano and Mighfar Imam. I think it is the volume of ??unit > cell", > not "cell" as your anwser. We also can understand it as the volume of one > effective atom in the cell. Therefore, for bcc, it should be 1/2 of alat^3, is > right?
It is the volume of the unit cell of the selected Bravais lattice (a^3/4 for FCC, a^3/2 for BCC, a^3 for SC) SB > > Jiayu > > > > > ------------------------------ > ------------------------------------------- > Jiayu Dai > Department of Physics > National University of Defense Technology, > Changsha, 410073, P R China > ----------------------------------------- > _______________________________________________ > 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/20100324/5ab6ef17/attachment.htm
