Hello, I'm currently working on the DFT calculation of 2D bilayer materials with SIESTA. I need to include Spin-Orbit coupling in my calculation. But I am unable to find any fully relativistic pseudopotential available for SIESTA.
Is there any pseudopotential vault for a fully relativistic .psf file for SIESTA? Or do I need to generate one by myself? Thank you. -Bejoy Sikder -- Bejoy Sikder Lecturer Ahsanullah University of Science and Technology
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)