[Pw_forum] spin-orbit interaction + pressure

[Максим Арсентьев]

of course, this is like usual geom. opt. but with pressure


2016-11-28 17:45 GMT+04:00 Andrey Chibisov <andreichibisov at yandex.ru>:

> Dear Colleagues,
> I want to apply a pressure to the silicene. The system relaxes, but the
> pressure tensor is not printed.
> There is a message:
>  Message from routine stres:
>  noncollinear stress + GGA not implemented
> Can I use the spin-orbit interaction with pressure?
>
> --
> 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 wishes,
Maxim Arsent'ev, Ph.D. (Chemistry)
Laboratory of research of nanostructures
Institute of Silicate Chemistry of RAS
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