Match SCF convergence
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_autotools: [foss2023a-serial] >
Input 13-full_potential_hydrogen.02-gs-cg.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-15 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')