Next: 33.2 Geometry optimization Up: 33.1 The gradient program Previous: 33.1.7 Difference gradients for

33.1.8 Example

Input: h2o_forces.com

Output: h2o_forces.out



P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000