Il giorno 25/lug/2011, alle ore 21.00, Tram Bui ha scritto: > Dear Everyone, > From the PDOS calculation (projwfc.x), can we find the occupancy of the > state?
Which state? > Also, can we run for ionization energy calculation from pdos? Never heard so. To compute ionization energies you need energies, not pdos. GS > > Regards, > > Tram Bui > > M.S. Materials Science & Engineering > trambui at u.boisestate.edu > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110726/5a315a0d/attachment.htm
