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/ ==================================================================