The ABINIT Users Mailing List ( CLOSED )

[Fabien Bruneval <fabien.bruneval@polytechnique.fr>]

Dear Manolo,

Indeed, in the standard perturbative evaluation of the GW band 
structure, the quasiparticle wavefunctions are not evaluated.

Very recently, I implemented in abinit the calculation of the 
quasiparticle wavefunctions using an hermitian approximation to the GW 
self-energy [following Faleev et al. PRL 93 126406 (2004) and my PhD 
thesis http://theory.polytechnique.fr/people/bruneval/bruneval_these.pdf].

This feature is available in abinit version 5.1.2. Check the meaning of 
the input variable "gwcalctyp", which governs this type of calculation.

I should warn you that this is a recent development that cannot be 
assessed to work for 100 % cases. Please check carefully your outputs 
and tell me if you encounter some troubles.

Have fun!

Fabien



mperez@mpi-halle.mpg.de wrote:
> Dear all
>
> my question regards the GW module of ABINIT
>
> it seems to me that there is no explicit computation of the quasiparticle
> states (wavefunctions) after the eigenvalue corrections. Please do correct
> me if this is wrong
>
> would it be too complicated to implement the explicit computation of GW
> quasiparticle (wavefunctions) states, after the eigenvalue corrections?
>
> thanks in advance
>
> Manolo