Uwe,
Thanks for the reply. I can run NumForce calculations now. (NumForce works without the ri flag in control file.) When I try NumForce -cosmo, the program stops with
"presently -cosmo is implemented for ridft groundstate only". This is funny, because I got the same error message for a CO2 in air system as that of CO2- in air. The ground state of CO2 is a neutral singlet. Is there a reason why I am getting this error message for CO2 in air ?
Thanks,
Pradeep
p.s. When I mentioned that NumForce works without the ri flag, how comparable are the energies from RI-B3LYP calculations to normal B3LYP calculations? (I am using RI-DFT to optimize CO2 in COSMO model for vacuum . I now want to obtain the zero point energy but NumForce cannot do ZPE with RI.)