[Pw_forum] About format in Spin Orbit calculations

robert.guzman guzmanar at cab.cnea.gov.ar
Wed Apr 29 20:24:43 CEST 2015

Dear Users and Owners.

Recently I started to use QE to calculate system with spin polarization 
and spin orbit coupling. My question is:
if starting_magnetization(i)=0.2. What is the direction of the 
could I set the axis of the magentization in the input file?

And in the output file I have the following sentences:

atom number   25 relative position :    1.2829  14.3906   8.5693
charge :     3.017831
magnetization :          0.000002   -0.000073    0.030820
magnetization/charge:    0.000001   -0.000024    0.010213
polar coord.: r, theta, phi [deg] :     0.030820    0.135780  -88.293801


I have three values for the magnetization but I don't know what is the 
direction of each component, maybe in this example (mx,my,mz) = 
(0.000002 ,  -0.000073  ,  0.030820)

Thanks for your attention.
Best regards.

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