Fixed bug in wannier90 interface with spin_orbit=True and multi shells

issp-center-dev / DCore

DMFT software for CORrelated Electrons

Other

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Closed shinaoka closed 3 years ago

shinaoka commented 3 years ago

proj_mat was not set correctly when spin_orbit = True and there are multiple correlated shells. Other changes

Old tests pre_wannier and pre_wannier_so have been removed since they are effectively included in the new test.
Save self-energy in a text file with more digits.
sigma_mix takes effect when an initial self-energy is loaded from a text file