ANTIRES: Difference between revisions
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== 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> | |||
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]] [[Category:BSE]] | [[Category:INCAR]] [[Category:BSE]] | ||
Revision as of 11:26, 14 January 2017
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=1 at roughly the same cost as TDA
- ANTIRES=2 beyond Tamm-Dancoff, coupling between positive and negative frequencies
VASP uses the procedures outlined in Ref. \cite{Sander15} to include contributions beyond Tamm-Dancoff. Beyond TDA calculations increase the computational time and memory requirements by typically a factor of 2.
References
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