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Next: 45.1.3 Defining the orbitals Up: 45.1 Analytical energy gradients Previous: 45.1.1 Adding gradients (ADD)   Contents   Index   PDF

45.1.2 Scaling gradients (SCALE)


If this card is present, the current gradient and energy are scaled by the give factor. This is sometimes useful for the optimization of counterpoise corrected energies (cf. 46.4.7). 2017-12-15