X

Search Results

Searching....

C.1 Q-Chem Text Input Summary

C.1.18 Keyword: $localized_diabatization

(February 4, 2022)

$localized_diabatization
       One comment line.
       One line with an an array of adiabatic states to mix together.
       <adiabat1>   <adiabat2>   <adiabat3>
$end

Note:  We count adiabatic states such that the first excited state is <adiabat>=1, the fifth is <adiabat>=5, and so forth.