[Wien] Reg. Performing GW Calculations using Wien2k

[tran at theochem.tuwien.ac.at]

Hi,

There is FHI-gap which is interfaced with WIEN2k, but has to be
downloaded separately. Some informations are here
http://www.chem.pku.edu.cn/jianghgroup/codes/fhi-gap.html

A recent paper is
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.115203

FT

On Monday 2019-09-23 18:28, Eesha Andharia wrote:

>Date: Mon, 23 Sep 2019 18:28:38
>From: Eesha Andharia <esandhar at email.uark.edu>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at, rolask at ihpc.a-star.edu.sg
>Subject: [Wien] Reg. Performing GW Calculations using Wien2k
>
>Hi,I, Eesha, am pursuing Phd AT university of Arkansas. I have some
>experience with GW calculations using Berkeley-GW code. However, it has
>limitations and also, I want to use a more accurate full-potential code
>Wien2k.
> I have the following questions related to GW on WIen2k.
>
>1) I know that FHI-Gap is interfaced with WIen2k. Does it mean that it was
>compiled with Wien2k package directly? If not, is it free of cost?
>
>2)If it is already compiled, where can I find a detailed tutorial or example
>of GW calculations using Wien2k?
>
>3) Does it compute GW calculations on fully-relativistic systems (includes
>the effect of Spin-Orbit-Coupling)?
>
>Please guide me to go ahead with this.
>
>Awaiting your reply.
>
>Yours sincerely,
>Eesha
>
>
>
>