Input 10-bomd.03-td_restart.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198645429e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.157209935826359e-09 | PASS |
| Energy [step 2] | -1.058226791296237e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -6.855589873566714e-09 | PASS |
| Energy [step 3] | -1.058222764055069e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.479424913801267e-09 | PASS |
| Energy [step 4] | -1.058219875857084e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.741821157949744e-09 | PASS |
| Forces [step 1] | -2.249842031290019e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.661526467752424e-09 | PASS |
| Forces [step 2] | -2.378811138827109e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 7.284738226531751e-08 | PASS |
| Forces [step 3] | -2.490665965774050e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 2.240597579972192e-07 | PASS |
| Forces [step 4] | -2.574356372750579e-01 | -2.574373063428386e-01 | 1.840000000000000e-06 | 1.669067780707412e-06 | PASS |