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Difference between revisions of "ANTIRES"

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== References ==
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<references>
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<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>
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</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

Cite error: <ref> tag defined in <references> has group attribute "" which does not appear in prior text.


Contents