CCL:G: Range of M.O.s used for correlation in CCSD calculations



 Sent to CCL by: "Andrea  Ciccioli" [andrea.ciccioli/./uniroma1.it]
 Hello everybody.
 I am doing CCSD(T) calculation with G03 on the Ca+ ion.
 In the output, the message "There is no correlation energy for this
 system" is given, and the HF energy is not corrected by the CC procedure.
 This is probably due to the criterium chosen to select the range of M.O.s used
 for correlation. Indeed, in the output the following message is reported:
 "Range of M.O.s used for correlation: 10   24". With this choice, I
 have seen that only 1 occupied MO is taken into account.
 My question is: how can I extend the range of MO used for correlation ?
 Thank you in advance
 Andrea Ciccioli
 Department of Chemistry
 Sapienza - Rome