Keywords used by PARAM

 

   1SCF  Use the MOPAC keyword 1SCF
   ALL           In parameter optimization, include reference data that are NOT to be optimized
   AM1           Use AM1 parameters from BLOCK DATA
   CHKPAR        Check parameter Hessian only
   CLEAN         Remove diagnostic keywords from data set
   CYCLES=n      Run 'n' cycles of parameter optimization, then stop
   DERIV         Print derivatives used by PARAM (d(ref. fn.)/d(parameter)
   EXPORT        Remove reference data from new data set
   FINE          Use double-sided derivatives for parameters
   FULL          Print weighted derivatives used by PARAM (d(ref. fn.)/d(parameter)*error
   GNORM=n       In PARAM, the criterion for geometry optimization is GNORM=N
   LARGE         Generate MOPAC-type output (for debugging)
    LBFGS  Use the LBFGS optimizer instead of the EF optimizer in geometry optimizations
   LET           Let job continue even if some data are missing 
   MAXATOMS=n    Only use systems with 'n' or fewer atoms (abb.: MAXAT=n)
   MNDO          Use MNDO parameters from BLOCK DATA
   MNDOd         Use MNDOd parameters from BLOCK DATA
   NEW_REF=m     Save optimized geometries in directory 'm'
   NOSAVEP         Do not save parameters at the end of each cycle of parameter optimization
   ONLY          Use only compounds that contain elements being parameterized.
   OUT=m  Write output file into directory 'm'
   PARAB=n       Dampening factor for parameter optimization = 'n'
   PARAMS=m      External parameter set location
   PM3           Use PM3 parameters from BLOCK DATA
   PM6           Use PM6 parameters from BLOCK DATA
   POWER=n.nn    Error function minimized is sum((calc-exp)**n.nn), default: 2.0
   PRECISE  Use the MOPAC keyword PRECISE.
   REF=m         Reference data to be read from directory 'm'
   RELD=n.nn     Default weights for Dipole Moments to be multiplied by n.nn
   RELG=n.nn     Default weights for Geometries to be multiplied by n.nn
   RELH=n.nn     Default weights for Heats of Formation to be multiplied by n.nn
   RELI=n.nn     Default weights for I.P.s to be multiplied by n.nn
   NOSCALE       No not alter weights even when predicted and calculated errors are different.
   SET=text  The set of MOPAC reference data files is in file text
   SURVEY          Generate publication-quality tables in HTML format.