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 [email protected] http://pwscf.org/mailman/listinfo/pw_forum
