Dear all, I found the following lines from forum
15: EV93-GGA for exchange and PW91-GGA for correlation 25: EV93-GGA for exchange and LDA for correlation I have following questions regarding EV-GGA. In order to perform 15: EV93-GGA calculation, first I need to run scf calculation with PW91-GGA then save the calculation and continue with 15 in case.in0 (run_lapw -NI) (or) some other way ?? Can some body explain in detail ... Thanks in advance Regards KONDAL -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121122/a3105042/attachment.htm>