Hi, The simplest way is looking at scf-output file, find a line like this
number of electrons = 26.00 and then you could ask yourself why I have 34.5 electrons. So, checking (reading) your output file is a good idea, anyway. Bests, Eyvaz. --- On Wed, 12/3/08, J. J. Ramsey <jjr19 at uakron.edu> wrote: > > > WARNING: integrated charge= 34.15000000, > expected= 34.50000000 > > > > 34.5 electrons? it's a metal. > > Interesting. Without the pseudohydrogens, there are only 32 > (valence) electrons. > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
