Hi, Siesta is able to expand/contract any spin-dimension matrix to a smaller spin matrix configuration. The spin-transformations are the simplest one could imagine, for instance, going from unpolarized to polarized will equally divide the density matrix electrons in spin-up/down.
Den søn. 27. mar. 2022 kl. 22.01 skrev Francisco Garcia < garcia.ff....@gmail.com>: > Dear Users, > > Is it allowed for me to add spin-orbit coupling (SOC) to a prior regular > calculation? Or do I have to start the SOC calculation from scratch? > > Thanks! > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
