[Pw_forum] volume in output file.

Jiayu Dai daijiayu at nudt.edu.cn
Tue Mar 23 10:00:19 CET 2010


>>   
>omega is the volume of the unit cell which in FCC is not alat^3 but 1/4 
>of alat^3
>

OK, thank you, Stefano and Mighfar Imam. I think it is the volume of ¡°unit cell",
not "cell" as your anwser. We also can understand it as the volume of one
effective atom in the cell. Therefore, for bcc, it should be 1/2 of alat^3, is
right?

Jiayu




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Jiayu Dai
Department of Physics
National University of Defense Technology, 
Changsha, 410073, P R China
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