How To Perform a Calculation

As presently no gradients are available, only single-point calculations are possible:

1. Select in define within the menu cc2

   the wavefunction model (submenu ricc2),

   frozen core options (submenu freeze),

   an auxiliary basis for $cbas (submenue cbas),

   the amount of main memory (option memory),

   and for CCSD(F12) calculations in addition

   the F12 options (submenu mp2-f12), and

   a CABS basis (submenu cabs).

   The auxiliary JK basis must be chosed in menu rijk and the exponent for the correlation function must set by editing the $lcg data group of the control file.
2. Do an SCF calculations using either the dscf or the ridft module.
3. Invoke the ricc2 program on the command line or with a batch script.