[Wien] EFG components

[Lyudmila Dobysheva]

On Monday 14 February 2005 18:57, qatad samara wrote:

> Iam trying to evaluate the EFG in the BCC iron
> but there is an error occurs in the lapw2 step

Dear Qatad M. Samara,

In the bcc iron there is a cubic symmetry. So why do you expect the EFG there? 
It equals zero, and I think it is not calculated at all. 
I could not understand why did you think that there was an error in the lapw2, 
I see that lapw2 has calculated everything. If you think that there is an 
error, send the file where you see this, there should be some nonzero file 
like dnlapw2.error or uplapw2.error.

Best regards
  Lyudmila Dobysheva 
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