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Dear vasp master,

I would like to calculate DOS by hybrid density functional.
As suggested in the vasp manual http://cms.mpi.univie.ac.at/vasp/vasp/T ... tions.html, I first run a normal DFT to get WAVECAR, and use this WAVECAR for the next hybrid density functional calculation.

I try with a small system of 5-atom unit cell of SrTiO3, the result is very good. But when I did calculation on a larger system (60 atoms), I always got an empty DOSCAR.
I went to the forum and know that there are many people encountering the same problem.

Could you tell me the procedure for DOS calculation by hybrid density functional?

Best regards,

opvu

It seems to me that the way to set up KPOINTS file for hybrid density functional calculation is different from the normal DFT one.
I use the KPOINTS file:
Automatic mesh
0
Monkhorst-pack
7 7 1
0 0 0


And got the error:
internal error in FOCK_ACC: number of k-points incorrect 9
49 2 2 2
internal error in FOCK_ACC: number of k-points incorrect 9
49 2 2 2
............