[Wien] Bandgap values in hybrid calculations.

[Serhat Ayık]

Dear wien2k users,

I calculated the energy band gap values using the hybrid function (YS-PBE0).

The k-point value in one calculation is 4 * 4 * 4, in another calculation
is 6 * 6 * 6.

I wrote the nband number as occupied+1 in both calculations.

The energy band gap in the second calculation, where the k-point 6 * 6 * 6,
turned out to be closer to the experimental data. (calc. : 2.9eV, exp.:
3.1ev)

What should I do to approximate the energy band gap values I find in hybrid
calculations to experimental data?

Should I increment the k-point or the number of nbands?

Best regards
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