Match SCF convergence
Commits >
Commit 12c5144371d4b1b6f2306d5bbdf3ce56936365b0 >
Run intel-2022b_impi >
Input 11-isotopes.01-deuterium.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')