ANTIRES: Difference between revisions

Revision as of 20:16, 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 $omega=0$ 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.

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