Requests for technical support from the VASP group should be posted in the VASP-forum.
ANTIRES
From Vaspwiki
Jump to navigationJump to searchANTIRES = 0 | 1 | 2
The flag ANTIRES determines whether the Tamm-Dancoff approximation is used or not. The allowed settings are:
Default: ANTIRES | = 0 | default: Tamm-Dancoff approximation (TDA) |
= 1 | 2 | |
= beyond Tamm-Dancoff, coupling between positive and negative frequencies | {{{7}}} |
\begin{tabular}{ll} {\tt ANTIRES}=0 & default: Tamm-Dancoff approximation (TDA) \\ {\tt ANTIRES}=1 & yields exact results at $\omega=0$ at roughly the same cost as TDA \\ {\tt ANTIRES}=2 & beyond Tamm-Dancoff, coupling between positive and negative frequencies \end{tabular}
\noindent VASP uses the procedures outlines in Ref. \cite{Sander15} to include contributions beyond Tamm-Dancoff. Beyond TDA calculations increase the compute time and memory requirements by typically a factor 2.