spinat

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

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ham
Posts: 14
Joined: Wed Mar 03, 2010 3:31 pm

spinat

Post by ham » Fri Jun 17, 2011 1:00 pm

Hello abinit users,
how can I choose the spinat parameter for a system with 48 carbon atoms and 6 hydrogen atoms !!
thank you so much for your reply.
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