[molpro-user] CASSCF saving multiple states

Nathan Wells nwells01 at qub.ac.uk
Fri Nov 5 10:05:59 GMT 2010

I recently ran a CASSCF for the first two states of my diatomic, asking to save the results in a separate table using the following command:

state,2; }

enddo                                 !end of do loop ir1
{table,r1,emulti                      !produce a table with results
head, r1,multi                        !column headers for table
save,x.tab                          !save the table in file x.tab
title,Results for x, basis $basis   !title for table

the calculation works fine but only saves the first state in my neat table. Is there any way to save the second state as well, to save the time scrolling through my 20 point surface? Thanks in advance

Nathan Wells

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