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Appendix A. Keyword Reference |  |
| ALLVEC | ||
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Appendix A. Keyword Reference | |
ALLVEC — All atomic orbital contributions to the MOs will be printed.
ALLVEC
The full set of eigenvectors (both occupied and virtual) listing the LCAO-MO solution to
the wavefunction will be printed in the .out file. If
UHF was specified, then both alpha and
beta eigenvectors will be printed. The eigenvectors are normalized to unity, such that the sum
of the squares of the coefficients is required to be exactly one. See the keyword
VECTORS for an abbreviated set of
eigenvectors.
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Copyright © 1992-2013 Semichem, Inc. All rights reserved. |
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| ALLOWATOMS |  |
ALPHA |