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Difference between revisions of "ANTIRES"

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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{{=}}1   at roughly the same cost  as TDA
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*{{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 Ref. <ref name="Sander"/> to include contributions
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VASP uses the procedures outlined in reference <ref name="Sander"/> to include contributions
 
beyond Tamm-Dancoff. Beyond TDA calculations increase the computational time and memory requirements by typically a factor of
 
beyond Tamm-Dancoff. Beyond TDA calculations increase the computational time and memory requirements by typically a factor of
 
2.
 
2.
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== Related Tags and Sections ==
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{{TAG|BSE calculations}}
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{{sc|ANTIRES|Examples|Examples that use this tag}}
  
 
== References ==
 
== References ==
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</references>
 
</references>
 
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[[The_VASP_Manual|Contents]]
 
  
[[Category:INCAR]]
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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