[Pw_forum] DOS of graphene

ehsan targholi targholi at gmail.com
Tue Dec 3 21:11:52 CET 2013


hi
Dear all
i calculate DOS of graphene but my DOS is not compatible with reference. in
the reference, DOS of graphene is U-shaped with minimum at 0 eV but in my
calculation this minimum occure at -.35 eV.  i increase K-point to 48 48 1
and change pseudopotentials. but result not change.
DOS of my calculation is attached,

besst regard
ehsan targholi
graduate student of chemistry department of iust
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