The ABINIT Users Mailing List ( CLOSED )

[Matteo Giantomassi <gmatteo@pcpm.ucl.ac.be>]

Dear pengyoucool,

Unfortunately GW calculations including spin orbit coupling are not yet
available. It is possible to use version 5.3.3 to perform a GW
calculation for spin-polarized syystems, but pseudopotentials containing
spin orbit information are not yet supported.

Please have a look at the release notes file for version 5.3 which
describes the present status of the GW code: 

http://www.abinit.org/Infos_v5.3/release_notes/release_notes.html

Regards,
Matteo


On Thu, 2007-03-08 at 09:57 +0100, pengyoucool@yahoo.com.cn wrote:
> Dear users:
>        I am a new user in abinit. Now I am eager to learn the band_gap 
> calculation in the GW approximation. The system I pay attention to need to 
> include the spin_orbit coupling. So I want to know how I should edit the 
> input file in the foundation of the usual input file. Besides,whether the 
> pseudopotential file should be modified according to the new code of the 
> spin_orbit coupling,or not .  If the pseudopotential file shoule be 
> edited,how do that.
>        I will look forward to your reply.Thank you very much for your 
> attention.
>                                                                             
>                       
>                                                                             
>                                                                             
>                             yours,
>                                                                     Friend
>