[Pw_forum] Cu_1d states at VBM

[Winfred Mulwa]

Dear all,
I have doped ZnAl2O4 with Cu, and i realized that O_2p and Cu_1d appeared
at the valence band maximum. Is this right or i need to repeat my
calculations? Please somebody help.
Regards
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
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