of course, this is like usual geom. opt. but with pressure
2016-11-28 17:45 GMT+04:00 Andrey Chibisov <[email protected]>: > 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 > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Best wishes, Maxim Arsent'ev, Ph.D. (Chemistry) Laboratory of research of nanostructures Institute of Silicate Chemistry of RAS
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