charged unit cell

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zjuer
Posts: 42
Joined: Thu Feb 17, 2011 2:05 am

charged unit cell

Post by zjuer » Wed Apr 13, 2011 11:17 pm

Hello all,
Are there any input variables to specifiy the amount of charges of a charged unit cell? For example, I want to calculate the energy level of O2- anion in a supercell, then how can I define its valence -2? Thanks in advance.
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