[Wien] Need your help

sikander Azam sikander.physicst at gmail.com
Thu Aug 13 13:35:56 CEST 2015


Resp. All
I am doing calculations on TiO2, I made the super cell and doped Ni. I used
GGA+U but when the calculations finished this give me the metallic nature,
but using the GGA+U on TiO2 I got the almost 3.0 eV band.
Please help me in this regards
sikander
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