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How to change the charge on impurities

Posted: Sat Mar 31, 2007 4:40 pm
by MDrizzle
Dear sir,
I am doing calculations on Mn-doped Si bulk system.
I would like to know if VASP can change the charge on Mn site, instead of the system.
Thank you,

Jane

How to change the charge on impurities

Posted: Mon Apr 02, 2007 8:29 am
by admin
no, you can just add or remove one electron to/from the complete
cell.