Dear Developers,
I am finding a difference in band gap for GaAs example while seen from GAP.OUT and bandstructure plots.
Tried increasing k-points. Some improvements but not much. The bandgap from GAP.OUT is around 1.22eV and from band structure file is 0.93eV. Please suggest what care should be taken to get both matched?
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Dear Developers,
I am finding a difference in band gap for GaAs example while seen from GAP.OUT and bandstructure plots.
Tried increasing k-points. Some improvements but not much. The bandgap from GAP.OUT is around 1.22eV and from band structure file is 0.93eV. Please suggest what care should be taken to get both matched?