Input 04-jellium.01-ground_state.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_min_autotools: [foss2022a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Total energy | -5.765200000000000e-01 | -5.765203200000000e-01 | 1.000000000000000e-04 | 3.199999999425884e-07 | PASS |
Eigenvalue [s] | -1.677000000000000e-01 | -1.676980000000000e-01 | 1.000000000000000e-04 | -1.999999999974245e-06 | PASS |
Eigenvalue [p] | -1.226370000000000e-01 | -1.226360000000000e-01 | 1.000000000000000e-04 | -1.000000000001000e-06 | PASS |