[Wannier] spin orbit coupling with USP/PAW pseudopotentials

[Andrey Chibisov]

Dear Shu-Ting Pi,
Thanks a lot for your comments.


25.11.2016, 11:45, "Shu-Ting Pi" <pipidog at gmail.com>:
> 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> wrote:
>> 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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-- 
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