[Pw_forum] volume in output file.

[Stefano Baroni]

On Mar 23, 2010, at 10:00 AM, Jiayu Dai wrote:

> 
>>> 
>> 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?

It is the volume of the unit cell of the selected Bravais lattice (a^3/4 for FCC, a^3/2 for BCC, a^3 for SC)

SB

> 
> Jiayu
> 
> 
> 
> 
> ------------------------------
> -------------------------------------------
> Jiayu Dai
> Department of Physics
> National University of Defense Technology, 
> Changsha, 410073, P R China
> -----------------------------------------
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
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