Hi,
trying to run dscf with the fairly big aug-cc-pVTZ basis set to run a rimp2 job after.
SCF convergence incredibly slow in some cases, in others strange oscillations during scf. With smaller basis sets dscf converges in very few steps. I suspect linear dependency problems with the aug-cc-pVTZ basis set. Two small questions:
1) How to check for this in TM ?
2) How to solve it in TM ?
TIA,
jack