[Pw_forum] how to determine mass of mixing pseudopotential by virtual.x

[Stefano Baroni]

The atomic mass is only used for calculating phonon frequencies, for  
which the VCA may or may not be a good approximation. If you do not  
calculate phonon frequencies, you can input whatever value you want. SB

PS: please, if possible, sign your posts and also add your  
affiliation - thanks

On Oct 22, 2007, at 12:51 PM, wangjunjie1981_0 wrote:

>
> Dear all
>
>   Recently, i generate mixing pseudopotential by virtual.x, and i  
> intend to test it. But i do not know how to determine the mass of  
> virtual-atom pseudopotential.
>   Thank you for your advance.
>
>    Best regards.
>
>
>
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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