Hi, If one generates the pseudopotential (PP) with ATOM using the switch=car (ceperley alder + relativistic) and then does a SIESTA calculation in spin-unpolarized mode, will this properly include the scalar relativistic corrections? I'm assuming the scalar relativistic corrections will be applied regardless of the spin polarization since it has to do with how the PP is fit to the all-electron calculation by ATOM.
Bests, -- Nichols A. Romero 4-133 ESB, MC 704 508 East Michigan Avenue 1110 West Green Street Apartment 12 Urbana, IL 61801-3080 Urbana, IL 61801-5176 (217) 333-6108 (217) 417-5210
