Dear QE users, I am wondering if anybody can tell me if it is possible to extract the spin orbit coupling potential in a non collinear calculation from the code. In order to clarify my question, the KS potential is stored in the vrs variable in the code, is there any variable storing the spin orbit component of the potential ? In non collinear calculation with nspin = 4, vrs has spin dimension 4, the total potential then becomes V=sum_is=1^4 vrs(:,is) * sigma_is, where sigma_(1,sigma_x,sigma_y,sigma_z). Then is it possible to combine vrs(:,2) vrs(:,3) and vrs(:,4) to obtain Vso ?
Thanks in advance for the help. Jacopo Simoni, Lawrence Berkeley National Lab, Berkeley US
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