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VDWCorrection
VDWCorrection
Section Hamiltonian::XC
Type integer
Default no
(Experimental) This variable selects which van der Waals
correction to apply to the correlation functional.
Options:
- none:
No correction is applied.
- vdw_ts:
The scheme of Tkatchenko and Scheffler, Phys. Rev. Lett. 102
073005 (2009).
- vdw_d3:
The DFT-D3 scheme of S. Grimme, J. Antony, S. Ehrlich, and
S. Krieg, J. Chem. Phys. 132, 154104 (2010).
Source information
electrons/v_ks.F90 : 475
call parse_variable(namespace, 'VDWCorrection', OPTION__VDWCORRECTION__NONE, ks%vdw_correction)
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