[Wien] How to force a particular charge state

dileep at jncasr.ac.in dileep at jncasr.ac.in
Sat Mar 2 08:45:09 CET 2013


Hello users,

In Wien2k I want to study Co doped ZnO and I want to force the Co atom to be in the Co3+ charged state instead of Co2+ and run the scf. How will I do that?

-Thanks
 Dileep Krishnan
 c/O Dr. Ranjan Datta,
 ICMS, JNCASR,
 Jakkur, Bangalore. 


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