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33.1 The gradient program
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32.6.2 SO calculation for
33 ENERGY GRADIENTS AND GEOMETRY OPTIMIZATION
Subsections
33.1 The gradient program
33.2 Geometry optimization
33.3 Examples
33.4 Vibrational Frequencies (
FREQUENCIES
)
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000