Dear Cyrille, I think the value of this radius (in the units of alat) is written in the beginning of the output, as "new r_m", which, as the code says, is chosen to be a little smaller than half of the minimum distance between two atoms of the system.
The PW/make_pointlists.f90 also says that it can be specified by the user but i don't know where and how this info can be put in the input file! Mighfar Imam, JNCASR, Bangalore India > 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/ > ================================================================== > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >