The ABINIT Users Mailing List ( CLOSED )

[pprodhom@chartreuse.cea.fr]

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? 

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 can’t see 
what the problem is? Anybody can give me a hand?

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

Thanks in advance
 
Here after is my error message:


chkinp: Checking input parameters for consistency, jdtset= 1.

chkinp: Checking input parameters for consistency, jdtset= 2.

chkinp : ERROR -

 When kssform==1 or 2, one cannot use pseudopotentials with

 more than one projector per angular momentum channel.

 Note that the ABINIT Troullier-Martins psps (pspcod=6),

 are suitable for use with kssform==1 or 2.

 Action : change kssform, nbandkss, or the problematic pseudopotential.

 chkinp: Checking input parameters for consistency, jdtset= 3.
 
chkinp: Checking input parameters for consistency, jdtset= 4.

-P-0000

-P-0000  leave_new : decision taken to exit ...


Pierre-Yves Prodhomme
CEA-Leti (D2NT-LSCDP) - Freescale
17 rue des Martyrs
38054 Grenoble
tél (33) 4.38.78.23.41
fax (33) 4.38.78.94.56
pierre-yves.prodhomme@cea.fr