Re: [Pw_forum] SOC pseudopotential

Have a look at http://www.pseudo-dojo.org/ , you can regenerate them fully relativistic using the ONCV code as Lorenzo suggested. Most of them have non linear core corrections, though. HTH Antimo Marrazzo Doctoral Assistant EPFL STI IMX THEOS ME-D2 1019 (Bâtiment ME) Station 9 CH-1015

Re: [Pw_forum] SOC pseudopotential

Dear Eliya, Those PSPs were generated with the atomic code. I guess users can generate their own PSPs if they are not readily available. Cheers, Vahid On Dec 5, 2017, at 3:06 AM, Eliya Asmani > wrote: Dear Vahid, Thank you for your guidance.

Re: [Pw_forum] SOC pseudopotential

Dear Vahid, Thank you for your guidance. It contains NC fully relativistic PS for many elements. But unfortunately It doesn't have any thing for W. Best Eliya On Tue, Dec 5, 2017 at 2:14 AM, Vahid Askarpour wrote: > The website http://theossrv1.epfl.ch/Main/Pseudopotentials

Re: [Pw_forum] SOC pseudopotential

The website http://theossrv1.epfl.ch/Main/Pseudopotentials has untested NC fully relativistic PSP for both PBE and PZ (LDA). They are in the files rel-pbe.0.3.1.tgz and rel-pz.0.3.1.tgz. Cheers, Vahid Vahid Askarpour Department of Physics and Atmospheric Science Dalhousie University, Halifax,

Re: [Pw_forum] SOC pseudopotential

Dear Lorenzo, Thanks for your reply. I want to calculate optical properties and it is important to consider SOC in our calculations. About norm-conserving pseudopotential, I'm not sure. But I don't know why it is usually used the norm-conserving PP. I would be glad somebody can give me any

Re: [Pw_forum] SOC pseudopotential

> I would like to perform calculations for w and Te with SOC effect. I > could not find full relativistic _normconserving_ pseudopotential for > them. Hello, why do you need this specific combination? I cannot think of any code that can do SOC but not US. Mostly thanks to Andrea Dal Corso

[Pw_forum] SOC pseudopotential

Dear all, I would like to perform calculations for w and Te with SOC effect. I could not find full relativistic *normconserving* pseudopotential for them. As I know in PSlibrary, we can make just for Ultrasoft and PAW pseudopotentials. Can someone quid me to find it? Eliya Asmani,