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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