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34.4.1 Numerical hessian using energy variables (VARIABLE)

VARIABLE,name;

Defines a variable name which holds the energy value to be used for computing the hessian using finite differences. By default, this is ENERGY(1) as set by the most recent program. For other other variables which can be used see section 30.2.21.



P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002