[Pw_forum] about U

[Matteo Cococcioni]

Dear Qianjin

yes it is the number of atoms in the supercell.

Matteo


wangqj1 wrote:
> Dear Matteo
> In your example of cacualating U of Fe ,with your method ,you get the 
> file U_bcc8 , the file's content is as following :
> 8 2.23515829445925
> 64 2.76703414230193
> 96 2.79787678572939
> 96 2.79787678572939
> 144 2.81842571395673
> 96 2.79787678572939
> 144 2.81842571395673
> 144 2.81842571395673
> 216 2.83209352287300
> I know the second column is the U of cacualating ,but I don't know the 
> first column symbolized , is it the numbers of atoms in the suppercell 
> ? Can you tell me ?
> Qianjin Wang
>
>
>
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