correct. and if you look at the end of the standard output produced by projwfc.x this is exactly what you find. stefano
Padmaja Patnaik wrote: > Dear all > I would like to have your suggestions on the following. > I have calculated DOS and PDOS of a system taking a super cell. Since I have > the partial density of states for each atom, can I integrate over energy upto > > Fermi energy for spin up and spin down separately to get net up and down > spins on the atom. The sum will > give me the total charge on the atom, while the difference will tell you the > net magnetic moment of W. > > Regards > Padmaja Patnaik > > Research Scholar > > Dept of Physics > > IIT Bombay > > Mumbai, India > > > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
