Dear all Can you describe in more detail on ‘modify your K_points in your input file like the method using vasp!’ in Q.E. input file, in order to obtain the band structure when performed with HSE functional in scf calculation.
And, how to obtain the band structure along high-symmetry line within HSE calculation. Regards. Evan USC, China At 2015-11-11 19:13:58, "plgong" <[email protected]> wrote: 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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