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Hello,
I tried to get the band decomposed charge density at the two dirac points of 6,6,12-graphyne, but the charge density plots I got at the two k-points are quite similar. This is wrong, and not consistent with the result given in the literature.
I have got WAVECAR converged on a 31x31x1 k-mesh, below is my INCAR file for PARCHG:
SYSTEM = Graphyne
ISTART = 1
ICHARG = 1
ENCUT = 600
PREC = Normal

LPARD = .TRUE.
IBAND = 36 37
KPUSE = 1 2
LSEPB = .TRUE.
LSEPK = .TRUE.

and KPOINTS file:
k-points at two dirac cones
2
Reciprocal
0.32258 0.0 0.0 1
0.03226 0.48387 0.0 1

Can you tell me what's going wrong for my input files?
Should the two kpoints above be exactly on the k-mesh that is used to obtain WAVECAR?

I'm really confused by the wrong output, can anyone help me out of this?

Thanks in advance!

Dong

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