[Wien] EV-GGA reg.

yedu kondalu nykondalu at gmail.com
Thu Nov 22 12:16:15 CET 2012


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
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