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
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