STABILITY

Performs wavefunction stability analysis. Called when specifically requested by the user.

General

CACHELEVEL

• Type: integer
• Default: 2

FOLLOW

Do follow the most negative eigenvalue of the Hessian towards a lower energy HF solution? Follow a UHF UHF instability of same symmetry?

• Type: boolean
• Default: false

NUM_VECS_PRINT

Number of lowest MO Hessian eigenvalues to print

• Type: integer
• Default: 0

REFERENCE

Reference wavefunction type

• Type: string
• Possible Values: RHF, UHF, ROHF
• Default: RHF

ROTATION_SCHEME

Method for following eigenvectors, either 0 by angles or 1 by antisymmetric matrix.

• Type: integer
• Default: 0

SCALE

Scale factor (between 0 and 1) for orbital rotation step

• Type: double
• Default: 0.5