[Pw_forum] Co Pseudopotential

[Izaak Williamson]

Hello everyone,


I am trying to calculate the magnetic spin of Co adsorbed onto a surface. The literature that I am comparing my values with says the Co spin is 3/2 from an all-electron calculation and I am getting S=1. The pseudopotential that I am using for Co is Co.pbe-nd-rrkjus.UPF. Is there something about this pseudopotential that is giving me an incorrect spin? Should I be using a different pseudopotential?

Thanks for any help.

-- 
 Izaak Williamson
Research Assistant
Physics Department
Boise State University
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