Yes, couple.f is part of lapwdm and it does as mentioned in the notes.
First of all, you may want to increase iprx to 2 in lapwdm.f and
recompile. You may then get the desired printout).
Then these matrices are used in xoper.f together with the corresponding
input option.
Regards
On 2/19/20 5:07 PM, Артем Тарасов wrote:
Dear Wien2K users,
In [Novak, 2006] I have found information about subroutine couplx. In
according to it: “Subroutine couplx now calculate matrices of all
components of spin and orbital momentum in crystal coordinate system
(sx, sy, sz, lx, ly, lz) and in coordinate system where quantization
axis is to the magnetization (sξ, sη, sζ, lξ, lη, lζ ).”
I suggest that this subroutine may be a part of lapwdm, but I cannot
find this data in the .outputdm file.
Could anyone help me with using this function?
Sincerely yours,
Artem Tarasov
Department of Solid State Electronics
SPSU.
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