I checked the code and found there may have a problem relating the $H_{soc}$, which is also appeared in your published paper M. Nakhaee, S.A. Ketabi and F.M. Peeters / Computer Physics Communications 254 (2020) 107379 ,
According to the rotation matrix (9), I deduce the basis set of complex spherical harmonics is $m=-l, ... ,l$. In this case the ladder operation $L^+$ should have a lower triangle form instead upper. But the expressions of $H_{soc}$ in the paper can only come out with the wrong $L^\pm$ form.
Please check.
I checked the code and found there may have a problem relating the$H_{soc}$ , which is also appeared in your published paper M. Nakhaee, S.A. Ketabi and F.M. Peeters / Computer Physics Communications 254 (2020) 107379 ,
According to the rotation matrix (9), I deduce the basis set of complex spherical harmonics is$m=-l, ... ,l$ . In this case the ladder operation $L^+$ should have a lower triangle form instead upper. But the expressions of $H_{soc}$ in the paper can only come out with the wrong $L^\pm$ form.
Please check.