The website that I mentioned is for the old code. For the new code it is here:
http://www.chem.pku.edu.cn/jianghgroup/codes/gap2.html
On Monday 2019-09-23 18:45, t...@theochem.tuwien.ac.at wrote:
Date: Mon, 23 Sep 2019 18:45:58
From: t...@theochem.tuwien.ac.at
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] Reg. Performing GW Calculations using Wien2k
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 <esand...@email.uark.edu>
Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
To: wien@zeus.theochem.tuwien.ac.at, rol...@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
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