[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
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