Hi,
I'm trying DFT+U calculation with spin orbit and noncollinear. However the
current working version is giving the "Hubbard manifold with zero occupations
is not allowed" error.
Then I downloaded the developed version. It is not giving any error anymore but
occupation of hubbard levels are still zero for nscf calculation but not for
scf calculation.
Number of occupied Hubbard levels = 3.6094 for last iteration of scf
Number of occupied Hubbard levels = 0.0000 for nscf
Is it possible to calculate DFT+U with noncollinear? I mean is this the
problem? or something else. Here I attached scf and nscf inputs and outputs.
Best Regards,
Mustafa.
Mustafa Ozgur
PhD Student
ESOGU, Turkey
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