[Pw_forum] magnetization value

kajal jindal kajalmh18 at gmail.com
Tue Nov 3 07:55:23 CET 2009


Hi,

I am studying spin polarized DFT with GGA for exchange and correlation..I am
aware that i can get to know the total magnetic moment for my structure..but
i want to know how can i  get the  magnetic moment on each atom and the
contribution from the corresponding orbitals?

sincerely,
Miss Kajal
(UTA)(University of Delhi)
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