Dear Palo Giannozzi: Thank you very much for you swift reply:)
Fcc aluminum has one atom per unit cell In "/espresso-4.0.4/examples/example06/results/alas444.fc", there are two atoms per unit cell: one is Al, the other is As. ____________________________________ Hui Wang School of physics, Nankai University, Tianjin, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090801/f522fa7f/attachment.htm
