How to change the charge on impurities

Message

MDrizzle · #1 Post by **MDrizzle** » Sat Mar 31, 2007 4:40 pm

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

#2 Post by **admin** » Mon Apr 02, 2007 8:29 am

no, you can just add or remove one electron to/from the complete
cell.