JDFTx  1.2.1
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van-der-waals

Syntax:

van-der-waals [<scaleOverride>=0]

Description:

DFT+D2 pair-potential corrections for the long range Van der Waals interaction [S. Grimme, J. Comput. Chem. 27: 1787–1799 (2006)].

Default scale factors are available for the gga-PBE, hyb-gga-xc-b3lyp and mgga-TPSS exchange-correlation functionals (see elec-ex-corr). Manually specify <scaleOverride> to use with other functionals

Properties:

Requires:     (None)

Forbids:     (None)

Allow multiple:    no

Default:     (None)

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