[Pw_forum] local magnetic moment in non collinear calculations

Cyrille Barreteau cyrille.barreteau at cea.fr
Thu Mar 10 08:38:23 CET 2011


Dear all,

I think I already asked this question once but do not remember the
answer and could not find it in the archive..

When doing non collinear calculations (noncolin=.true.) the magnetic
moment on each atom is printed out in the output file.
If I remember well this local magnetic moment is integrated over a
sphere (and is different from the lowdin charge analysis of projwfc).

I just would like to know the radius of this sphere in order to compare
my results with the ones obtained from a FLAPW calculation which by
construction also integrates charges over a sphere.

By the way it would also be interesting to have this local charge within
standard LSDA (collinear) calculations. 

thanks in advance

  cyrille



-- 
==================================================================
Cyrille Barreteau              | phone : +33 (0)1 69 08 29 51
CEA Saclay                     | fax   : +33 (0)1 69 08 84 46
IRAMIS  SPCSI Bat 462          | email cyrille.barreteau at cea.fr
91191 Gif sur Yvette FRANCE
          ~~~~~~~~~~~~~~~~~~~~~~~~
home page: http://iramis.cea.fr/Pisp/cbarreteau/
Lab page:  http://iramis.cea.fr/spcsi/
==================================================================




More information about the users mailing list