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Appendix A. Keyword Reference |  |
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Appendix A. Keyword Reference | |
EIGS — Print out HF eigenvalues at every step of the SCF procedure.
EIGS
EIGS specifies that the HF eigenvalues are to be printed to the output file at every step during the SCF procedure. Caution: for large multi-step jobs this may produce a lot of output. For RHF or RHF only one set of eigenvalues are printed, for UHF both alpha and beta eigenvalues are printed.
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ENHANCE |