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/)

Responder a