[Pw_forum] calculation of 'local' moments in a scf calculation

Sun Sep 13 16:06:07 CEST 2009

Dear QE users,
i performed a scf caculation under LSDA of a supercell containing 32 atoms.
One cationic site of GaAs host matrix is replaced by Mn. i want to calculate
the 'local' moment on Mn atom.

sincerely,
Sreekar Guddeti
B.Tech+M.Tech
Engineering Physics
IIT Bombay
India

-- 
Sreekar Guddeti
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