[Pw_forum] about generating pseudopotential

[Paolo Giannozzi]

On Oct 12, 2006, at 11:00 , Amin Babazadeh wrote:

> I want to use the function that Engel and Vosko proposed for
> exchange-correlation potential {Exact exchange-only  potential   
> and  ....,
> Phys.Rev  B47 13164 (1993)}  instead of  PW91.
>
> I will appreciate if some one help me and tell me if it is possible  
> to change
> exchange correlation potential in USPP or recommend me a code for
> generating pseudopotential.

I am not aware of any pseudopotential-generation or electronic-structure
code using this EV-GGA. if this Engel-Vosko stuff is just a variant  
of GGA
with a different functional form (I am too lazy to read the  
reference) its
implementation in quantum-espresso is a straightforward but annoying
exercise: see Modules/functionals.f90

Paolo