[Pw_forum] magnetic moment

Guido Fratesi fratesi at mater.unimib.it
Thu Oct 11 15:21:27 CEST 2012

Dear Sakhroui,

> Is there a way to get the magnetic moment
> of each atom in the input cell??

Bearing in mind that partitioning charge among atoms is arbitrary, the 
code projwfc.x will do that job by projecting the charge on atomic 
wavefunctions. Then, mu=rho_up-rho_dw where rho is the charge on the 
atomic wavefunctions of each atom.


PS having a spell-checker installed could be a good idea ;-)

Guido Fratesi

Dipartimento di Scienza dei Materiali
Universita` degli Studi di Milano-Bicocca
via Cozzi 53, 20125 Milano, Italy

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