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Difference between revisions of "ANTIRES"
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is used or not. The allowed settings are: | is used or not. The allowed settings are: | ||
− | {{DEF|ANTIRES|0|default: Tamm-Dancoff approximation (TDA)|1|yields exact results at | + | {{DEF|ANTIRES|0|default: Tamm-Dancoff approximation (TDA)|1|yields exact results at <math>\Delta</math> at roughly the same cost as TDA|2|beyond Tamm-Dancoff, coupling between positive and negative frequencies}} |
\begin{tabular}{ll} | \begin{tabular}{ll} |
Revision as of 20:14, 13 January 2017
ANTIRES = 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 | yields exact results at at roughly the same cost as TDA | |
= 2 | beyond Tamm-Dancoff, coupling between positive and negative frequencies |
\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.