19.5.5 Saving the CI vectors and information for a gradient calculation

Old form (obsolete):

New form:

`SAVE`,[`CI`=*cidump*,][`REF`=*refsav*,][`GRD`=*grdsav*];

This directive must be placed before any `WF` or `STATE` cards. The options can
be given in any order.

*cidump:* record name for saving the CI vectors. By default, the vectors are only
written to a scratch file. If `NATORB, CANORB` or `LOCORB` cards are present,
*cidump* should be specified on these cards. At present, there is hardly any use of saved
CI vectors, and therefore this option is rarely needed.

*refsav:* record name for saving the orbital configurations and their weights for use in
subsequent MULTI or CI calculations using the `SELECT` directive. If wavefunctions for
more than one state symmetry are optimized in a state-averaged calculation, the weights for
each state symmetry are saved separately on records *refsavistsym*, where
*istsym* is the sequence number of the `WF` card in the input. If several
`NATORB`, `CANORB`, or `LOCORB` cards are present, the record number is
increased by 1000 for each subsequent orbital set. Note that this option implies
the use of CSFs, even of no `CONFIG` card (see section 19.6.1) is present.

*grdsav:* record name for saving the information which is needed in a subsequent
gradient calculation. This save is done automatically to record 5000.1 if the input
contains a `FORCE` or `OPTG` card, and therefore the `GRD` option is
normally not required.

molpro@molpro.net 2018-11-14