Accuracy of LOPTICS at low energies
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 10
- Joined: Fri Jun 14, 2013 9:56 pm
- License Nr.: Nr 5-225
- Location: Oak Ridge National Laboratory
Accuracy of LOPTICS at low energies
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.
Last edited by hachteja on Fri Aug 16, 2013 12:28 am, edited 1 time in total.
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Accuracy of LOPTICS at low energies
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