[Pw_forum] meaning of Lowdin charges with non-collinear magnetizations

Yi Wang wangwy13 at gmail.com
Sun Jun 28 11:06:14 CEST 2015

Dear everyone,

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.

Yi Wang
Ph.D candidate at Nanjing University of Science and Technology

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