ANTIRES: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
(14 intermediate revisions by one other user not shown)
Line 1: Line 1:
{{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.  


----
----
*{{TAG|ANTIRES}}=0 Tamm-Dancoff approximation (TDA)
*{{TAG|ANTIRES}}=0 Tamm-Dancoff approximation (TDA)
*{{TAG|ANTIRES}}=1 yields exact results at ω{{=}}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 Ref. \cite{Sander15} 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 articles ==
{{TAG|BSE calculations}}


{{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