Input 09-angular_momentum.01-gs.inp
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_opt_autotools: [foss2023a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Initial energy | -2.319595865000000e+01 | -2.319595865000000e+01 | 1.160000000000000e-07 | 0.000000000000000e+00 | PASS |