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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090913/4dbd589f/attachment.htm
