Requests for technical support from the VASP group should be posted in the VASP-forum.


From Vaspwiki
Revision as of 15:03, 11 March 2019 by Karsai (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigationJump to search

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