[Pw_forum] lowdin charge

yaldaa kh yaldachem at gmail.com
Tue Nov 17 20:39:29 CET 2009


 dear all
I performed pdos calculation(scf ,nscf pdos) for Cu slab ,but in lowdin
charge, the Cu-p had some charge while p orbitals in Cu atom are unoccupied.
if this result is wrong?
thanks a lot
yaldaa Kh.
chem. student
Azad university Iran
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