[molpro-user] Restarting CCSD calculations from saved amplitudes

[Graham Rugg]

Dear Molpro Users,



Is it possible to save the SD amplitudes from a ROHF/UCCSD(T) calculation,
in order to either:

a)      Restart non-converged SD iterations from saved amplitudes

b)      Save converged SD iterations, then separately run a (T) calculation?

Many thanks,

Graham Rugg
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