Its unclear what you got from vaspkit. Can you elaborate on this? — Tristan Maxson 2 days ago

I mean, I am getting the same files for optical properties when I run optical properties with LOPTICS =.TRUE. and when I run doss calculations without LOPTICS =.TRUE. in INCAR files. These are two different cases and in both cases, I am getting files for optical properties using vaspkit. So my question was: why do we need to do separate calculations for optical properties if we are getting the same files with DOSs calculations. I am wondering if someone had met a similar experience and will share his/her ideas. — astha 2 days ago

Be clear, which files are you getting that you do not expect to get without LOPTICS=TRUE. Also, search the INCAR and ensure its not being set implicitly. — Tristan Maxson 2 days ago

I am getting these files: ABSORPTION.dat ENERGY_LOSSSPECTRUM.dat EXTINCTION.dat IMAG_PHS.dat real_PHS.dat REFLECTIVITY.dat REFRACTIVE.dat with vaspkit on a DOSs calculation where I did set LOPTICS=.FALSE. I am thinking, these files can only be produced when we set, LOPTICS=TRUE. in INCAR. — astha yesterday

These don't look like VASP files (they must be from vaspkit directly), make sure in the OUTCAR that LOPTICS hasn't been set. — Tristan Maxson yesterday

Yes, these are vaspkit files obtained from a DOSs calculation. — astha yesterday

How can I check LOPTICS from OUTCAR? I tried to grep it but I did not get anythink. — astha yesterday