ANTIRES: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
{{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2|0}} | {{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2|0}} | ||
Description: | Description: {{TAG|ANTIRES}} determines whether the Tamm-Dancoff approximation is used or not. | ||
is used or not. | |||
---- | ---- | ||
*{{TAG|ANTIRES}}=0 Tamm-Dancoff | *{{TAG|ANTIRES}}=0 Tamm-Dancoff approximation (TDA) | ||
*{{TAG|ANTIRES}}=1 yields exact results at | *{{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 | |||
2. | |||
== Related | == Related tags and articles == | ||
{{TAG|BSE calculations}} | {{TAG|BSE calculations}} | ||
| Line 24: | Line 21: | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Many- | [[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.