Hi, If there is no definition for occupations, thus, your system is considered as a semiconductor or insulator with nbnd=nelec/2 (see output file) and occupations 1 or 0 for occupied (valence) and unoccupied (conductivity) bands.
Bests, Eyvaz. --- Alberto Milani <alberto.milani at chem.polimi.it> wrote: > Hi, > what is the default for 'occupations' if I don't > explicitly define it? > Thanks in advance > A.M: > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > __________________________________ Yahoo! FareChase: Search multiple travel sites in one click. http://farechase.yahoo.com
