[Pw_forum] *.fc file in PW_SCF help.

xirainbow nkxirainbow at gmail.com
Sat Aug 1 10:21:43 CEST 2009


 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 


More information about the Pw_forum mailing list