Subject: Help me on the selection of density functional and basis sets for transition metal compunds.

From: "Chungen Liu" <[email-masked]>
Date: Fri, 10 Sep 1999 07:05:15 +0800

I want to do some calculations on the transition metal compounds(in solid
state) using DFT scheme. I am troubled by the selection of the density
functional and basis sets. If you have any idea, would you please let me
share your experience.

Thank you in advance.

Chungen

[email-masked]