[Wien] opticcpara crashed for mstar

Rubel, Oleg rubelo at mcmaster.ca
Wed Mar 3 22:31:31 CET 2021


You are right, it is not a universal line. It implies that the system is not magnetic (N at the end). Also, it avoids relativistic local orbitals (RLOs), which is default in init_so_lapw. I cannot point to a reference, but it seems that optic is not compatible with RLOs? (Maybe someone can comment.)

Thank you
Oleg


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