Dear all, I have got results for the density of states of graphene using both
scf and nscf techniques and both gave different results. The SCF calculation
was with the C.pz-rrkjus.UPF and with a k points grid of 30x30x1. The NSCF
calculation was with C.pz-vbc.UPF nad with 700 points (crystal_b)..I think the
nscf converges more towards a zero DOS at some point. I am attaching both
results and I would be greatful if someone can let me know if any of them looks
like the DOS of graphene and why that difference.
Regards.
Elie Moujaes
University of Nottingham
Physics department
NG7 2RD
nOTTINGHAM,
UK
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