magnetization of cobalt

Total energy, geometry optimization, DFT+U, spin....

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mina
Posts: 110
Joined: Mon Sep 27, 2010 8:44 am

magnetization of cobalt

Post by mina » Sat Nov 27, 2010 2:44 pm

Hello,
i am calculatin magnetization of co(hcp),but i have problem with the number of atoms.
when i put one atom i get good magnetization but when i put two atom i can't find it.
could you please tell me about the number of atoms and their coordinates,please?
thankyou.

dr_sferrari
Posts: 28
Joined: Mon Mar 29, 2010 4:13 pm

Re: magnetization of cobalt

Post by dr_sferrari » Thu Sep 20, 2012 5:10 pm

What do you use as "spinat" value?
Dr. Sergio Ferrari
Scientific Researcher (category Assistant) - CONICET (National Council of Research in Science and Technology)
IFLP (Physics Institute of La Plata)
Universidad Nacional de La Plata
La Plata, Argentina

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