[molpro-user] Input for basis extrapolation of two CI roots

H. Hogreve hogreve at ifisr.org
Thu Apr 14 14:35:42 CEST 2016

Dear MOLPRO experts,

I am trying to extrapolate two (or more) roots of CI calculations;
say, I compute the two lowest roots by


and then I like to basis-extrapolate both roots. I did several
attempts with the various options described in the manual
for EXTRAPOLATE, but unfortunately could not yet figure out
a way how to achieve this. Any hints and assistance will be
highly appreciated.
Many thanks in advance, Hans H.

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