[Pw_forum] Coverting PDOS from JM basis (spin-orbit, non-colinear case) to LS basis

[saqib.javaid at ipcms.u-strasbg.fr]

Dear PWSCF Users,

I have been trying to get PDOS given in JM basis for spin-orbit and non-colinear
case into LS basis (like in colinear case). For this purpose, i converted
projections calculated in 'projwave_nc' subroutine ( array
proj0(natomwfc,nbnd), presumably in JM basis  ) to LS basis using clebsh-Gordon
coefficients. However, PDOS obtained with this procedure does not give the
correct spin moment for simple 3d metals.
I would appreciate if you can point out any concpetual mistake in the method
used or an alternative way to obtain PDOS in LS basis for spin orbit case.
with best regards,
saqib javaid
Phd student,
University of strasbourg, France



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