[Wien] EFG

[Sabine Wurmehl]

Dear wien2k-users,

Normaly i can monitor some labels by checking case.scf.
Also the EFG should appear there.
i am calculating the system NiMnSb, which should show EFG-values. It does not, so i started with 
a normal calculation, then i have calculated the DOS and afterward started scf again with the EFG switch intead of TOT.
But the label EFG still didnt appear in scf-file. 

Thanks for helping me.

S. Wurmehl




-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20040302/e9bd3f14/attachment.html