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Difference between revisions of "ANTIRES"

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{{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2}}
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{{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2|0}}
  
The flag {{TAG|ANTIRES}} determines whether the Tamm-Dancoff approximation
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Description: The flag {{TAG|ANTIRES}} determines whether the Tamm-Dancoff approximation
is used or not. The allowed settings are:
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is used or not.  
  
{{DEF|ANTIRES|0|default: Tamm-Dancoff  approximation (TDA)|1|yields exact results at Ω=0 at roughly the same cost  as TDA|2|beyond Tamm-Dancoff, coupling between positive and negative frequencies}}
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----
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*{{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}
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VASP uses the procedures outlined in reference <ref name="Sander"/> to include contributions
{\tt ANTIRES}=0 & default: Tamm-Dancoff approximation (TDA) \\
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beyond Tamm-Dancoff. Beyond TDA calculations increase the computational time and memory requirements by typically a factor of
{\tt ANTIRES}=1 & yields exact results at $\omega=0$ at roughly the same cost  as TDA \\
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2.
{\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
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== Related Tags and Sections ==
beyond Tamm-Dancoff. Beyond TDA calculations increase the compute time and memory requirements by typically a factor
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{{TAG|BSE calculations}}
2.
 
  
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{{sc|ANTIRES|Examples|Examples that use this tag}}
  
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== References ==
 +
<references>
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<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>
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</references>
 
----
 
----
[[The_VASP_Manual|Contents]]
 
  
[[Category:INCAR]] [[Category:BSE]]
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[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:BSE]]

Latest revision as of 15:03, 11 March 2019

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=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 Tamm-Dancoff. Beyond TDA calculations increase the computational time and memory requirements by typically a factor of 2.

Related Tags and Sections

BSE calculations

Examples that use this tag

References