24.9 Starting wavefunction


record name from which the wavefunction is restored for a restart. This has the same effect as the START option.

If the option MAXIT=1 is set on the CCSD command line, no further iterations will be performed. (Note: in this case there is no check whether the previous wavefunction was converged.) It is then for example possible to compute the triples correction using the restarted CCSD wavefunction.

molpro@molpro.net 2019-06-17