My Community

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).

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP