[Pw_forum] meaning of Lowdin charges with non-collinear magnetizations
wangwy13 at gmail.com
Sun Jun 28 11:06:14 CEST 2015
I'm doing a non-collinear magnetization calculation(non spin-orbit). I
wanted to know the magnetic moment on each atom, thus I performed the
Lowdin charge calculation with projwfc.x. The code gives the the results
of "polarization", "spin up", "spin down", and "total charge".
I want to ask what is the physical meaning of the "polarization" under
this non-collinear condition? I noticed its value is somehow close to the
absolute value of the magnetization of each atom along the z axis(which is
printed out every iteration, I read it is calculated from the charge
integration inside a given volume, please correct me if I'm wrong), is
that what it means? The z axis component of the magnetic moment rather
than the total magnetic moment? or something else?
Thank you for your precious time.
Ph.D candidate at Nanjing University of Science and Technology
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