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Difference between revisions of "ANTIRES"

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== Related Tags and Sections ==
 
== Related Tags and Sections ==
 
{{TAG|BSE calculations}}
 
{{TAG|BSE calculations}}
 +
 +
== Example Calculations using this Tag ==
 +
{{TAG|Dielectric properties of Si using BSE}}, {{TAG|Model BSE calculation on Si}}
  
 
== References ==
 
== References ==

Revision as of 11:45, 21 February 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=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

Example Calculations using this Tag

Dielectric properties of Si using BSE, Model BSE calculation on Si

References


Contents