[Wien] EV-GGA reg.

[tran at theochem.tuwien.ac.at]

Hi,

It does not matter at all which calculation was done before EV93-GGA,
and like for any other GGA functionals you can also start it just after
init_lapw (and having chosen 15 in case.in0).

F. Tran

On Thu, 22 Nov 2012, yedu kondalu wrote:

> 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
>