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Next: 46.2.19 Conical Intersection optimization Up: 46.2 Directives for OPTG Previous: 46.2.17 Optimizing energy variables   Contents   Index   PDF

46.2.18 Printing options (PRINT)

PRINT,code=level,...;

Enables printing options. Usually level should be omitted or 0; values of $level>0$ produce output useful only for debugging. code can be

HESSIAN
prints the updated hessian matrix. Note that its diagonal elements are printed anyway.
HISTORY
prints the complete set of previous geometries, gradients and energies.
GRADIENT
prints extended gradient information
OPT
prints detailed information about the optimization process (mainly for debugging).

Several print options can be specified with one PRINT command.



molpro@molpro.net 2017-12-17