
CFOUR_FD_STEPSIZEΒΆ
Specifies the step length in mass-weighted coordinates (in
) used in generating the force constant matrix by finite difference of Cartesian gradients.
- Type: integer
- Default: 5
Specifies the step length in mass-weighted coordinates (in
) used in generating the force constant matrix by finite difference of Cartesian gradients.
- Type: integer
- Default: 5