I'm blind Total thanks!!
On 2015-04-29 17:50, Arles V. Gil Rebaza wrote: > I was looking and found the "starting_spin_angle" variable, but I > didn't > found the angle to set the direction. > > > Are you sure..?? please read the QE manual, > > angle1(i), i=1,ntyp REAL > The angle expressed in degrees between the initial > magnetization and the z-axis. For noncollinear calculations > only; index i runs over the atom types. > > angle2(i), i=1,ntyp REAL > The angle expressed in degrees between the projection > of the initial magnetization on x-y plane and the x-axis. > For noncollinear calculations only. > > > Best > > Dr. Arles V. Gil Rebaza > Instituto de Física La Plata > La Plata - Argentina. > > > > 2015-04-29 17:29 GMT-03:00 robert.guzman <[email protected]>: > > 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 > > > > > _______________________________________________ > 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
