Support for new hybrid/meta-GGA band calculation method in VASP?

Open good-mood-everyday opened this issue 3 months ago • 0 comments

Dear admin, Starting VASP 6.3.0, it has a new method for plotting hybrid/meta-GGA band, and from them it seems that this way is better than traditional method. Band-structure calculation using hybrid functionals. (See step2, point2).

I tried to use pyprocar but extracted band doesn't make sense.

Also does pyprocar support usual hybrid/meta-GGA calculation? The previous method is that KPOINTS contains IBZKPT file from scf + 0 weighted k-points along high-sym line. I tried it but still doesn't work. The relevant files and figures are attached below.

pyprocar hybrid band.zip

Sep 30 '25 13:09 good-mood-everyday