[Pw_forum] spin-orbit interaction + pressure

[Andrey Chibisov]

Dear Dr. Lorenzo,
Thanks a lot for your comments.

29.11.2016, 00:22, "Lorenzo Paulatto" <lorenzo.paulatto at impmc.upmc.fr>:
> On Monday, November 28, 2016 11:45:01 PM CET Andrey Chibisov wrote:
>>  Can I use the spin-orbit interaction with pressure?
>
> You can, because the pressur estill exists, but it cannot be computed, hence
> the following limitations apply:
> 1. you won't be able to know how much pressure you are actually applying
> without doing finite difference derivation
> 2. you won't be able to use automatic optimisation of the cell volume (i.e.
> vc-relax)
>
> hth
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www: http://www-int.impmc.upmc.fr/~paulatto/
> mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
>
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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