i ran the LOPTICS tag for the first time with LDA+U . It is for an insulating material (NiFe2O4) which vasp is predicting correctly with a gap of ~ 1.5 eV. However, the dielectric tensor is diverging near zero frequency (both imaginary and real part). Something i am doing wrong? Any advice would be appreciated
I am doing a nroaml SC run with the LOPTICS=TRUE and many more NBANDS as suggested (over three times the default).
LOPTICS
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Re: LOPTICS
Hi,
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