[Pw_forum] Band gap hybrid functionals

[plgong]

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：

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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