[Wien] meta-GGA

F. Tran tran at theochem.tuwien.ac.at
Sat Jun 26 10:36:30 CEST 2010


Yes, TPSS is implemented only for Exc. So, indxc=27 means TPSS
for Exc and PBE for Vxc. This means that the band structures obtained
with indxc=13 and 27 are the same.

On Sat, 26 Jun 2010, Amene Nouri wrote:

> Hello all WIEN2k users
> I have a question about meta-GGA.
> In the usersguid there is scentence about TPSS " Onlu Exc is obtained that way, Vxc of standard PBE is used"
> Does it mean that TPSS results for band gaps are the same of PBE-GGA?
> For which quantities the energy and for wich quantities the potiential is used?
>  
> Thanks in advance.
> Best Wishes
> 
> 
> 


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