[Pw_forum] About format in Spin Orbit calculations

[Arles V. Gil Rebaza]

Dear Robert, just read the line:

polar coord.: r, theta, phi [deg] :     0.030820

modulus =    0.030820
theta      =    0.135780
phi         = -88.293801

Best.


Dr. Arles V. Gil Rebaza
Instituto de Física La Plata
La Plata - Argentina.


2015-04-29 15:24 GMT-03:00 robert.guzman <guzmanar at cab.cnea.gov.ar>:

> 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
> magnetization?
> 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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