14.2 evib features.

The evib module implemented in TURBOMOLE allows to calculate the matrix elements of the first order derivative of the Kohn-Sham operator

              e
He  χ = ⟨μ||dHˆ1||ν⟩,
  μν        dχ
(14.4)

which are required to obtain the first-order electron vibration coupling constant as given in Eq. (14.3). Features and limitations