Dear Niharika, Il 02/14/2012 08:18 AM, Niharika Joshi ha scritto: > Hello, > I was trying out the example 08 (quantum espresso 4.3.2) where > k-resolved DOS for Ni is calculated. > I plotted the k-resolved DOS for Ni (d orbital) at just one k-point and > then the total DOS.
> The DOS at one k-point are coming higher than the total DOS, which > should be the other way round. No, there's no such requirement. The k-resolved DOS does not include the k-point weight, which is set here to unity: see Doc/INPUT_PROJWFC. Best, Guido > Can anyone explain this? > Thanking in advance. > -Niharika Joshi > (Project student, Indian Institute of Science Education and Research, > Pune, India) > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy
