VDWD3Functional

A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X

VDWD3Functional

Section Hamiltonian::XC
Type string

(Experimental) You can use this variable to override the parametrization used by the DFT-D3 van deer Waals correction. Normally you need not set this variable, as the proper value will be selected by Octopus (if available).

This variable takes a string value, the valid values can be found in the source file ‘external_libs/dftd3/core.f90’. For example you can use:

VDWD3Functional = ‘pbe’




Source information