[Wien] mbj calculation

[tran at theochem.tuwien.ac.at]

It is not possible to do MBJ calculations with WC06.
The only possibility is with LDA (indxc=28), but you can
modify the source code (vxclm2.f in SRC_lapw0) to
replace LDA energy by WC06 energy for indxc=28.


On Sun, 24 Jul 2011, ahmed amine wrote:

> 
> hello
> i am trying to do MBJ calculation with gga Wu-Cohen 06
> what i should put in indxc
> 
> 
> 
> 
>