Sure you can! Who else should determine the atomic positions? Can you explain a little better what the problem is? SB
On Aug 17, 2010, at 8:03 PM, Vin?cius Bertuzzo Lima wrote: > Please, it is possible to do this: > > I was wondering how to proceed the calculus by considering a cell where I > determine the exact place where the atoms are located. > I want to determine by myself the coordinates for each atom in the lattice. > > Vin?cius Bertuzzo Lima > Student of chemical in "Universidade Estadual Paulista - Unesp - FC" Brazil-SP > _______________________________________________ > 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/20100818/8a799496/attachment.htm
