ANTIRES: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
(23 intermediate revisions by one other user not shown)
Line 1: Line 1:
{{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2}}
{{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2|0}}


The flag {{TAG|ANTIRES}} determines whether the Tamm-Dancoff approximation
Description: {{TAG|ANTIRES}} determines whether the Tamm-Dancoff approximation is used or not.  
is used or not. The allowed settings are:


{{DEF|ANTIRES|0|default: Tamm-Dancoff approximation (TDA)|1|yields exact results at ω\= at roughly the same cost  as TDA|2|beyond Tamm-Dancoff, coupling between positive and negative frequencies}}
----
*{{TAG|ANTIRES}}=0 Tamm-Dancoff approximation (TDA)
*{{TAG|ANTIRES}}=1 yields exact results at ω{{=}}0 at roughly the same cost  as TDA
*{{TAG|ANTIRES}}=2 beyond Tamm-Dancoff, coupling between positive and negative frequencies


\begin{tabular}{ll}
VASP uses the procedures outlined in reference <ref name="Sander"/> to include contributions beyond TDA. Beyond-TDA calculations increase the computational time and memory requirements by typically a factor of 2.
{\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}


&Gamma;<sub>mean</sub>=1
== Related tags and articles ==
\noindent VASP uses the procedures outlines in Ref. \cite{Sander15} to include contributions
{{TAG|BSE calculations}}
beyond Tamm-Dancoff. Beyond TDA calculations increase the compute time and memory requirements by typically a factor
2.


{{sc|ANTIRES|Examples|Examples that use this tag}}


== References ==
<references>
<ref name="Sander">[http://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.045209 T. Sander, E. Maggio and G. Kresse, Phys. Rev. B 92, 045209 (2015).]</ref>
</references>
----
----
[[The_VASP_Manual|Contents]]


[[Category:INCAR]] [[Category:BSE]]
[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:Bethe-Salpeter equations]]

Latest revision as of 10:19, 7 April 2022

ANTIRES = 0 | 1 | 2
Default: ANTIRES = 0 

Description: ANTIRES determines whether the Tamm-Dancoff approximation is used or not.


  • ANTIRES=0 Tamm-Dancoff approximation (TDA)
  • ANTIRES=1 yields exact results at ω=0 at roughly the same cost as TDA
  • ANTIRES=2 beyond Tamm-Dancoff, coupling between positive and negative frequencies

VASP uses the procedures outlined in reference [1] to include contributions beyond TDA. Beyond-TDA calculations increase the computational time and memory requirements by typically a factor of 2.

Related tags and articles

BSE calculations

Examples that use this tag

References