Input 06-2D.01-Na_gs.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run intel_omp_autotools: [intel2022a-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 | -2.140882400000000e-01 | -2.140882400000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |