ANTIRES

From VASP Wiki

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.

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Examples that use this tag

References