Vdw type
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vdw_type sets the van der Waals correction method.
Summary
| 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 = none 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
