Dear all:
Greetings!
I am almost sure that there is a bug in the definition of Lx, Ly in
file couplx.f of SRC_lapwdm for Wien2k_14.2. As I show in the attached
Fortran code, [Lx, Ly] = -Lz instead of Lz. The fix is to have
Ly=transpose(Ly). Please let me know if it is true or not. BTW, I do not
see any corresponding fix in the release note of 16.1, so I believe it
remains there. Thanks.
Regards, Yongxin
L_check.f90
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param.inp
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