[Wien] Reg. Performing GW Calculations using Wien2k

Eesha Andharia esandhar at email.uark.edu
Mon Sep 23 18:28:38 CEST 2019


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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