[QE-users] Band_structure _NiO

[Poonam Kaushik]

Hello all,
I am calculating the band structure of NiO using  LDA+U the actual band gap
is around 4ev, but i am getting around 2.27ev. I matched with the
literature as well the high symmetry path in my case is different. I am
attaching my input file as well. please suggest if anyone knows anything
about it.





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Poonam Sharma
Research Scholar
Department of Physics
Indian Institute of Technology Bombay
Mumbai - 400076
India.
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