The ABINIT Users Mailing List ( CLOSED )

[Deyu Lu <dylu@ucdavis.edu>]

Abinit might not do what exactly you want. But you may want to check out
routines:  psp3in.F90, psp3nl.F90, as well as ccgradvnl.F90.

Best
Deyu

On Wed, 2006-08-30 at 17:54 +0200, jcabellos@cio.mx wrote:
> Dear Abinit Users
> Im trying to evalute the non-local contribution Vl(G,G')(in fourier space) 
> to the pseudopotnetial,  form the paper Phys.Rev.B 58, 3641 (1998), then 
> I would like to know if some subroutine of Abinit(inside of ABINIT code) 
> make this evaluation(Vl(G,G')) when you are using HGH type psp?
> I know that the fourier transform of the projectors pij(G) are evaluted 
> inside of 
> ABINIT code... but is Vl(G,G) evaluted by ABINIT ?
> Thanks in Advanced 
>