X

Search Results

Searching....

B.1 Q-Chem Text Input Summary

B.1.7 Keyword: $empirical_dispersion

(July 14, 2022)
$empirical_dispersion
    S6 S6_value
    D D_value
    C6 element_1 C6_value_for_element_1 element_2 C6_value_for_element_2
    VDW_RADII element_1 radii_for_element_1 element_2 radii_for_element_2
$end

Note:  This section is only for values that the user wants to change from the default values recommended by Grimme.