Thanks for the advice. In this case the magnetization is in the z axis. But how to set the initial magnetic polarization? I was looking and found the "starting_spin_angle" variable, but I didn't found the angle to set the direction. Maybe someone did this kind of work. If someone have the answer please share with me.
Best regards. R.M. Guzman A. Balseiro Institute. Argentina On 2015-04-29 15:58, Arles V. Gil Rebaza wrote: > 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 <[email protected]>: > > 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 > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
