ANTIRES
ANTIRES = 0 | 1 | 2
Default: ANTIRES = 0
Description: The flag ANTIRES determines whether the Tamm-Dancoff approximation is used or not.
- ANTIRES=0 Tamm-Dancoff approximation (TDA)
- ANTIRES=1 yields exact results at ω=1 at roughly the same cost as TDA
- ANTIRES=2 beyond Tamm-Dancoff, coupling between positive and negative frequencies
| Default: ANTIRES | = 0 | default: Tamm-Dancoff approximation (TDA) |
| = 1 | yields exact results at ω=1 at roughly the same cost as TDA | |
| = 2 | beyond Tamm-Dancoff, coupling between positive and negative frequencies |
VASP uses the procedures outlined in Ref. \cite{Sander15} to include contributions
beyond Tamm-Dancoff. Beyond TDA calculations increase the computational time and memory requirements by typically a factor of
2.