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Difference between revisions of "ANTIRES"
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| − | {{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2}} | + | {{TAGDEF|ANTIRES|0 {{!}} 1 {{!}} 2|0}} |
| − | The flag {{TAG|ANTIRES}} determines whether the Tamm-Dancoff approximation | + | Description: The flag {{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}}=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 | ||
| − | + | 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 | |
| − | + | 2. | |
| − | |||
| − | |||
| − | + | == Related Tags and Sections == | |
| − | + | {{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> | ||
---- | ---- | ||
| − | |||
| − | [[Category:INCAR]] [[Category:BSE]] | + | [[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.
