The ABINIT Users Mailing List ( CLOSED )

[Riad Shaltaf <shaltaf@pcpm.ucl.ac.be>]

Dear Pierre-Yves Prodhomme,


On Mon, 2006-01-16 at 13:05 +0100, pprodhom@chartreuse.cea.fr wrote:
> Hi abiniters
> 
> I am trying to correct a band diagram with the GW correction in ab-init 
> V4.3 using currently HGH pseudopotential, but it seems that the GW 
> correction is not available with this pseudopotential, Is there anybody who 
> can say if I am wrong? 

I guess it is available provided that the right input variables are used
> 
> And if I am right, I presume that the fact that there is more than 1 
> projector for a kinetic momentum in HGH is not the problem, but I cant see 
> what the problem is? Anybody can give me a hand?

Unfortunately the fact that there is more than 1 projector in HGH is the
problem

> Otherwise is there a version of Abinit which can work with HGH 
> pseudopotential for GW correction?

your current version must work if  kssform is set to 3, this option work
with any potential.

hope that this was helpful,
-- 
Riad Shaltaf                       UCL/SE/FSA/MAPR/PCPM
Tel: +32 (0)10 47 81 91            Bâtiment Boltzmann, a+1
Fax: +32 (0)10 47 34 52            1 place Croix du Sud
Mel: shaltaf@pcpm.ucl.ac.be        1348 Louvain-la-Neuve (Belgique)