[Pw_forum] Band gap hybrid functionals
plgong at theory.issp.ac.cn
Wed Nov 11 12:13:58 CET 2015
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，plgongplgong at theory.issp.ac.cn写道：
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?
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