My Community

how to set the value of SAXIS along directions other than principle directions (x,y,z) i.e If I want to move from 0 degree to 180 degree and want to know MAE value then how value of SAXIS should I set and kindly confirm that SAXIS = 1 1 0 means , alpha = 0 and beta = 45 degree? and Also that for beta = 60 degree what will be S AXIS?

Thanks in advance

Hi,

There are two ways one can rotate the magnetization: by rotating the initial magnetic moments MAGMOM or by rotating the quantization axis SAXIS. Please see the wiki page on how to set the spin quantization axis.
As explained in the wiki page, SAXIS = 1 1 0 corresponds to alpha=pi/4 and beta=pi/2.