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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110808/d4c5398b/attachment.htm
