[Pw_forum] DOS of graphene

ehsan targholi targholi at gmail.com
Sat Jan 25 19:37:54 CET 2014


hi
Dear all
i calculate DOS of graphene and divide DOS to area of my supercell. and
give the DOS in unit of 1/eV.(angstrom)^2
 but my result is not compatible with reference.
i use of   smearing='fermi-dirac' & degauss=0.0005D0 & k-point = 24*24*1
what is wrong in my work?

in attached file: red line is my result and black line is reference.


best regard
ehsan targholi
graduate student of chemistry department of iust
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