Reorthonormalization contributions: *REORT

Directives affecting the calculation of reorthonormalization contributions to the geometric Hessian appear in the *REORT section.

.PRINT  

READ (LUCMD,*) IPRINT

Set print level in the calculation of the lowest-order reorthonormalization contributions to the molecular Hessian. Read one more line containing print level. Default value is the value of IPRDEF from the general input module.

.SKIP  

Skip the calculation of the reorthonormalization contributions to the molecular Hessian. This will give wrong results for this property. Mainly for debugging purposes.

.STOP  

Stop the entire calculation after finishing the calculation of the reorthonormalization contributions to the molecular Hessian. Mainly for debugging purposes.