[Pw_forum] about generating pseudopotential

[Amin Babazadeh]

dear users

When we use GGA approximation we can use many exchange-correlation potential
for example PW91 exch-corr GGA ,PBE (Perdew-Burke-Ernzerhof), EV-GGA
(Engel-Vosko),.......
I found some of the pseudopotential in the
http://www.pwscf.org/pseudo.htmthat have been generated with some of
the exch-corr
functions but i need the pseudopotential with EV-GGA (Engel-Vosko) exch-corr
potential. I want to generate this potential but i don't know if i can do it
whit using  USPP ``*U*ltra*S*oft *P*seudo*P*otential'' code or not. I
haven't worked whit this code until yet and i want to know that if this code
in capable of doing my job i start learning it.

Exactly what i need is
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.
Sincerely yours



-- 
AMIN
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20061012/ef81632c/attachment.html>