Dear Dr. Lorenzo, Thanks a lot for your comments. 29.11.2016, 00:22, "Lorenzo Paulatto" <lorenzo.paula...@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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
-- 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 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum