ANTIRES: Difference between revisions

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{{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2|0}}
{{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2|0}}


Description: 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.  


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*{{TAG|ANTIRES}}=0 Tamm-Dancoff approximation (TDA)
*{{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}}=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
*{{TAG|ANTIRES}}=2 beyond Tamm-Dancoff, coupling between positive and negative frequencies


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


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|BSE calculations}}
{{TAG|BSE calculations}}


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[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[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