question about DOS in noncollinear calculations
Posted: Fri Sep 05, 2014 10:00 pm
I'm a little bit confused about the x,y,z components of the orbitals in DOS calculations with noncollinear spin (with spin-orbit coupling too). For example DOSCAR contains Px and also Px_x, Px_y,Px_z . Now what is the relations between the three components x,y,z and the total Px. Intuitively it is just Px=sqrt( Px_x^2 + Px_y^2 + Px_z^2 ), but I checked that and it is not actually the case. Any hints about the relationship between the components and the total are appreciated.
