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35.2.4 Loading ${\bf S}^{-1/2}$

LOAD,name,SMH

loads ${\bf S}^{-1/2}$, where S is the overlap matrix in the AO basis. The keyword SMH needs not to be given if name=SMH.


P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000