> the results do not change if I increase the > cutoff to 32 Ry and > use a 6 6 6 MP grid. > Actually 25 Ry should be enough. I think there is not too much difference between 4x4x4 and 6x6x6 k-grid (8, and 16 k-points including gamma-point). How about 12x12x12 or 16x16x16?
I would try to look at you input files again. Bests, Eyvaz. > Andrea > > -------------------------------------------------------------------------- > Andrea MARINI > > Physics Department, University of Rome "Tor > Vergata" (Italy) > - phone: +39-0672594894 - fax: > +39-062023507 - > > -- andrea.marini at roma2.infn.it - > http://www.fisica.uniroma2.it/~marini/ -- > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
