[Pw_forum] spin-orbit interaction + pressure

[Lorenzo Paulatto]

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
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