CFOUR_FD_STEPSIZE¶
Specifies the step length in mass-weighted coordinates (in \(10^{-4} amu^{1/2} bohr\) ) 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 \(10^{-4} amu^{1/2} bohr\) ) used in generating the force constant matrix by finite difference of Cartesian gradients.
Type: integer
Default: 5