[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
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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
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