meisam aghtar wrote: > This time I used the smearing occupation instead of tetrahedral method > using a dense meshed BZ. The result is better , for example there is not > any gap but that still does not seem to be the exact DOS. Blow are my > scf and nscf inputs. > > Of course according to Paolo?s response I have not tested the 4.0.1 > version. I don?t know if that one makes a better result.
no, it will yield the same result, or ratrher, lack of it: there is no way to get the exact DOS around the K points in graphene using broadening, except for an unpractically large number of k-points Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
