[Pw_forum] Kubo-Greenwood

[Lazaro Calderin]

Ok guys .. I just programmed the Kubo-Greenwood conductivity formula for
any symmetry and any number of k-points. But it is limited to the no-spin
and no-uspp calculations. Also the correction for the non-localility of
the pseudopotential is not included. If it is of interest to include this
code in the espresso package just let me know.

Now, I am interested in calculating the correction due to the non-local
part of the pseudopotential asap but I need some info on the 'technical'
details on how that is implemented in pwscf. I am digging into the code
already but it would be faster and better if I can see some mathematical
expressions.

Thanks, Lazaro

> Hello everyone, Could some one please tell me if the Kubo-Greenwood
> formula for the optical conductivity has been implemented in pwscf ?
> Thanks, Lazaro
>
>
> --
> =============================================================
> Dr. Lazaro Calderin
> Dpt. of Theoretical, Atomic and Optical Physics
> Univ. of Valladolid, 47005 Valladolid. Spain
> Phone: +34 983 423891   Fax: +34 983 423013
> E-mails: calderin at fta.uva.es  or  calderin at physics.queensu.ca
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>