Vdw type

vdw_type sets the van der Waals correction method. Currently, the accepted options are:

1. "none" for no van der Waals corrections
2. "ts" for the Tkatchenko-Scheffler method

Note that for van der Waals corrections to be available, the specific potential you are using needs to have them enabled.

Summary

Summary for vdw_type keyword

Required/optional	Type	Accepted values	Default	See also
Optional	String	"none" or "ts"	"none"	van der Waals corrections, vdw_rcut, vdw_sr, vdw_d, vdw_c6_ref, vdw_r0_ref, vdw_alpha0_ref

Example

vdw_type = "ts"
vdw_rcut = 15.
vdw_sr = 0.94
vdw_d = 20.
vdw_c6_ref = 27.8 ! eV * Angstrom^6, one per species
vdw_r0_ref = 1.9 ! Angstrom, one per species
vdw_alpha0_ref = 1.778 ! Angstrom^3, one per species