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Error messages produced by MOPAC
MOPAC produces several hundred messages, all of which are intended
to be self-explanatory. However, when an error occurs it is useful to
have more information than is given in the standard messages.
The following alphabetical list gives more complete definitions of
the messages printed.
Subsections
- AN UNOPTIMIZABLE GEOMETRIC PARAMETER ...
- ATOM NUMBER nn IS ILLDEFINED
- ATOMIC NUMBER nn IS NOT AVAILABLE ...
- ATOMIC NUMBER OF nn ?
- ATOMS nn AND nn ARE SEPARATED BY nn.nnnn ANGSTROMS
- ATTEMPT TO GO DOWNHILL IS UNSUCCESSFUL ...
- BOTH SYSTEMS ARE ON THE SAME SIDE ...
- C.I. NOT ALLOWED WITH UHF
- CALCULATION ABANDONED AT THIS POINT
- CARTESIAN COORDINATES READ IN, AND CALCULATION ...
- CARTESIAN COORDINATES READ IN, AND SYMMETRY ...
- ELEMENT NOT FOUND
- ERROR DURING READ AT ATOM NUMBER ...
- FAILED IN SEARCH, SEARCH CONTINUING
- <<<<--**** FAILED TO ACHIEVE SCF. ****-->>>>
- GEOMETRY TOO UNSTABLE FOR EXTRAPOLATION ...
- ** GRADIENT IS TOO LARGE TO ALLOW ...
- GRADIENT IS VERY LARGE ...
- ILLEGAL ATOMIC NUMBER
- IMPOSSIBLE NUMBER OF OPEN SHELL ELECTRONS
- IMPOSSIBLE OPTION REQUESTED
- INTERNAL COORDINATES READ IN, AND CALCULATION ...
- INTERNAL COORDINATES READ IN, AND SYMMETRY ...
- JOB STOPPED BY OPERATOR
- **** MAX. NUMBER OF ATOMS ALLOWED: ...
- **** MAX. NUMBER OF ORBITALS: ...
- **** MAX. NUMBER OF TWO ELECTRON INTEGRALS ...
- NAME NOT FOUND
- NUMBER OF PARTICLES, nn GREATER THAN ...
- NUMBER OF PERMUTATIONS TOO GREAT, LIMIT 60
- SYMMETRY SPECIFIED, BUT CANNOT BE USED IN DRC
- SYSTEM DOES NOT APPEAR TO BE OPTIMIZABLE
- TEMPERATURE RANGE STARTS TOO LOW, ...
- THERE IS A RISK OF INFINITE LOOPING ...
- THIS MESSAGE SHOULD NEVER APPEAR, CONSULT A PROGRAMMER!
- THREE ATOMS BEING USED TO DEFINE ...
- - - - - - - - TIME UP - - - - - - -
- TRIPLET SPECIFIED WITH ODD NUMBER OF ELECTRONS
- """"""""""""""UNABLE TO ACHIEVE SELF-CONSISTENCY
- UNDEFINED SYMMETRY FUNCTION USED
- UNRECOGNIZED ELEMENT NAME
- **** WARNING ****
- WARNING: INTERNAL COORDINATES ...
root
2003-07-07