Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^2: SCF problems
Symmetry is C1..
The input follows as attachment. I have tried changing convergers to SOSCF , disabling DIIS, changing ICUT/ITOL, FDIFF=.f. or FDIFF=.t. (always without success)
| ||This message contains the 2211 kb attachment|
[ SCF_problem_case_input_Pedro_Silva.zip ] My problematic input..
Tue Sep 28 '10 10:25pm
This message read 769 times