ANTIRES: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
(4 intermediate revisions by the same user not shown)
Line 16: Line 16:
{{TAG|BSE calculations}}
{{TAG|BSE calculations}}


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


== References ==
== References ==
Line 22: Line 23:
</references>
</references>
----
----
[[The_VASP_Manual|Contents]]


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

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