[Wien] EFG

[Stefaan Cottenier]

>   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

Your atom nrs. 1 and 3 are probably on high-symmetry sites, for which 
the EFG is necessarily zero. For such sites, the :EFGxxx label is not 
printed in case.scf.

Stefaan