Accuracy of LOPTICS at low energies
Posted: Fri Aug 16, 2013 12:28 am
Hello all,
I'm running LOPTICS calculations to capture the dielctric matrix, and I can't help but notice it behaves strangely at low energies (sub 1eV). I cannot seem to get my dielectric matrix to converge in that range. Is this regime a problem for VASP Optical calculations or do I need to just keep increasing my ENCUT/NBANDS/k-point mesh till I get real convergence.
I'm running LOPTICS calculations to capture the dielctric matrix, and I can't help but notice it behaves strangely at low energies (sub 1eV). I cannot seem to get my dielectric matrix to converge in that range. Is this regime a problem for VASP Optical calculations or do I need to just keep increasing my ENCUT/NBANDS/k-point mesh till I get real convergence.