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. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
