you can obtained band structure using hse method, but first you must modify your K_points in your inputfile like the method using vasp!
在2015-11-11 18:13:41，[email protected]写道： Hey, I've tried searching the forum, and I haven't come across a way to calculate the band gap in a material using the hybrid functionals. I know you can't do nscf calculations, but is there any simple way to calculate the band gap for a material using scf simulations? Thanks, Phil
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