When we switch on hybrid calculations in Q-Espresso, we give q-point for Fock Operator.
for following settings
KPOINTS = 8 8 8 and qx1=1,nqx2=1,nqx3=1
The program prints out something like this:
EXX: grid of k+q point setup nkqs = 256
However, for settings
KPOINTS = 8 8 8 and qx1=2,nqx2=2,nqx3=2
The program prints out something like this:
EXX: setup a grid of 512 q-points centered on each k-point
My question is, the band gap (or any related property) obtained from hybrid calculations depends upon k+q points or it depends upon both (or any) of the K-points or the q-points?
Any help in this matter would be greatly appreciated.
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