[Wien] EFG

[Rocquefelte]

After the SCF cycles, you have to do: x lapw2 -efg (plus other options 
if necessary -sp -c ...) to obtain the EFG values of all the atoms.

See the userguide for more details (Lapw2 section).

Regards

Xavier


Le 26/05/2011 23:54, vandao at urisan.tche.br a écrit :
> Dear Users
>   I'm in doubt with EFG, I have three different atoms in the calculations.
> But I only get the EFG of an atom. Even when I use the option or EFG001
> EFG002 or EFG003. The result is 3irfe_vol__10.0.scf: EFG002: 3.86341 * 10
> ** 21 V / m ** 2
>
>
>   Can someone help me.
>
>
>
>
>
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