LMP2LT

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Revision as of 14:16, 24 February 2020 by Kaltakm (talk | contribs)

LMP2LT = .FALSE. | .TRUE. 

Default: LMP2LT = .FALSE.

Description: LMP2LT selects a Laplace transformed MP2 algorithm.

If LMP2LT=.TRUE. and ALGO=ACFTDRK is set, a quartic scaling Laplace transformed MP2 algorithm is selected.[1]

This tag should be used in combination with KPAR to tweak parallelization as described in this tutorial.

Related Tags and Sections

NOMEGA, ALGO

Examples that use this tag

  1. ↑ T. Schäfer, B. Ramberger, and G. Kresse, J. Chem. Phys. 146, 104101 (2017).
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