Dear users/developers, Is it possible to perform variable cell optimizations with spin-orbit coupling (SOC) in version 4.1.5?
Does the warning message below imply that SOC shouldn't be used in version 4.1.5 (especially for strongly localized d & f electron systems): *"This spin-orbit implementation uses a local approximation. From 4.2 and onwards the full non-local approximation is implemented. You are strongly advised to use >=4.2 versions!"* I would like to ask the developers: (i) when will a version with fully functioning SOC will be released? (ii) Is the current implementation of SOC suitable for variable cell calculations in systems with strong SOC effects? Thank you very much in advance!
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
