[QE-users] [Pw_forum] How to calculate atomic magnetic moment in the non-collinear spin-orbit calculations

[Ming Lei]

Dear Users,

After running projwfc.x, at the end of the output file, it shows

Lowdin Charges:

     Atom #   1: total charge =  13.5212, s, p, d, f =   2.6218  5.9990
 4.9003
     Atom #   2: total charge =  13.5212, s, p, d, f =   2.6218  5.9990
 4.9003
     Atom #   3: total charge =   7.0913, s, p, d, f =   1.9097  5.1816
 0.0000
     Atom #   4: total charge =   7.0913, s, p, d, f =   1.9097  5.1816
 0.0000
     Atom #   5: total charge =   7.0913, s, p, d, f =   1.9097  5.1816
 0.0000
     Atom #   6: total charge =   7.0913, s, p, d, f =   1.9097  5.1816
 0.0000
     Atom #   7: total charge =   7.0913, s, p, d, f =   1.9097  5.1816
 0.0000
     Atom #   8: total charge =   7.0913, s, p, d, f =   1.9097  5.1816
 0.0000
     Spilling Parameter:   0.0059

There is no information about the magnetic moment of each atom.  So how
to calculate atomic magnetic moment in the non-collinear spin-orbit
calculations?

Any suggestion will be appreciated. Thank you.

Ming Lei
University of California, Riverside
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