| 9:18:10 AM PDT - Wed, Nov 2nd 2011 |
|
| I'm wondering if I can change the default SCF convergence threshold when doing post Hartree-Fock calculations. The default tolerance is 1e-6. If I change this to 1e-5 in my input and do an SCF only calculation (task scf), then the value of 1e-5 is used. However if I set the SCF tolerance to 1e-5 in my input and request an MP2 or CCSD run, the default value of 1e-6 is used during the SCF regardless of my setting in the input file. Is there something that I am doing wrong?
|