Match SCF convergence
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel-serial: [intel2023a-serial] >
Input 18-mgga.06_nccs.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.500000000000000e-14 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')