[Wannier] spin orbit coupling with USP/PAW pseudopotentials

Shu-Ting Pi pipidog at gmail.com
Fri Nov 25 02:45:49 CET 2016

No, you cannot. Some codes can support Wannier90 using PAW such as
ABINIT (but it has problem with SOC) or VASP. As for QE, you have to
use NCPP.  An easy way is to generate NCPP with SOC using ONCVPSP
which I believe you can find some useful instructions by Google.

On Thu, Nov 24, 2016 at 5:20 PM, Andrey Chibisov <andreichibisov at yandex.ru>

> Dear Colleagues,
> I recently found a link:
> http://mailman.qe-forge.org/pipermail/wannier/2013-November/000725.html
> Please tell me, can I use USP/PAW pseudopotentials for Wannier90?
> Or not?
> --
> Best regards,
> Andrey Chibisov. Ph.D.
> Numerical method of mathematical physics Laboratory,
> Computational Center, Russian Academy of Sciences.
> Khabarovsk, Russia
> Web page: https://www.researchgate.net/profile/A_Chibisov
> http://ru.linkedin.com/pub/andrey-chibisov/55/253/986/en
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