| ATOMS mm AND nn ARE SEPARATED BY nn.nnnn ANGSTROMS | ||
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Appendix C. Error Messages |  |
| ATOMS mm AND nn ARE SEPARATED BY nn.nnnn ANGSTROMS | ||
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Appendix C. Error Messages | |
ATOMS mm AND nn ARE SEPARATED BY nn.nnnn ANGSTROMS
Two genuine atoms (not dummies) are separated by a very small distance. This can occur when a complicated geometry is being optimized, in which case the user may wish to continue. This can be done by using the keyword GEO-OK. More often, however, this message indicates a mistake, and the calculation is stopped by default.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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| ATOM NUMBER nn IS ILL DEFINED |  |
C.I./SCFCI NOT ALLOWED WITH UHF |