This card is used to specify a configuration set other than a CAS, which is the default.
This option automatically triggers the CONFIG option, which selects CSFs rather than
determinants. Configurations can be defined using CON cards, which must follow
immediately the SELECT card. Alternatively, if ref1 is an existing MOLPRO
record name, the configurations are read in from that record and may be selected according
to a given threshold.
- (rec1) The configurations are read in from
the specified record. If ref1 is not specified, the program assumes that the
configurations are read from subsequent CON cards (see CON).
- (rec2) Additional configurations are
read from the specified record. If rec2 is negative, all records between rec1 and abs(rec2) are read. All configurations found in this way are merged.
- Selection threshold for configurations read from disc (records rec1-rec2). This applies to the norm of all CSFs for each orbital configuration.
- Specifies from which state vector the configurations are selected.
This only applies to the case that the configurations were saved in a state-averaged
calculation. If refstat is not specified, the configurations are selected from all
- max. number of open shells in the selected or generated configurations.