greaaaaaat bosss On Thu, Mar 19, 2015 at 5:10 PM, Ludwig, Stephan < [email protected]> wrote:
> Hello, > > > I read that the tetrahedron method is not implemented for > projwfc-calculations. > > What does this mean? > > I have done scf calculation with gaussian smearing and afterwards nscf > calculations with tedrahedra ( wanted to calculate DOS). > > Now I whant to obtain the PDOS. When I do not specify any occupation and > smearing and degauss in the projwfc-file I do not receive any error > messages. > > I suppose the program chooses some default values (gaussian smearing etc. > Which defaults are chosen?). > > My question: Is it a good idea to use a nscf-calculation with > tetrahedra-method to calculate PDOS or shall I repeat the nscf with > gaussian smearing? > > > Thanks and regards, > > Stephan > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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