may I add the recommendation that one should try to understand methods and approximations (if, when, and how they work) _BEFORE_ using them? cheers - SB
On Oct 19, 2009, at 8:35 AM, Paolo Giannozzi wrote: > > On Oct 19, 2009, at 4:57 , Jun Dai wrote: > >> Is it possible or reasonable? > > it is possible, but hardly reasonable. Virtual crystal > approximation works for cases like A(x) B(1-x) > substitutional alloys, when A and B are not too > different. In your case A=Oxygen and B=nothing. > > Paolo > --- > Paolo Giannozzi, Dept of Physics, University of 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 --- 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/20091019/d74a78f8/attachment.htm
