Input 10-bomd.03-td_restart.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198643510e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.138019952890318e-09 | PASS |
| Energy [step 2] | -1.058226791295437e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -6.847590938718895e-09 | PASS |
| Energy [step 3] | -1.058222764026179e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.190518237441211e-09 | PASS |
| Energy [step 4] | -1.058219875828420e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.455179336559922e-09 | PASS |
| Forces [step 1] | -2.249842031505123e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 9.640016146450492e-09 | PASS |
| Forces [step 2] | -2.378811158223897e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 7.090770351436682e-08 | PASS |
| Forces [step 3] | -2.490665160715145e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 3.045656484790271e-07 | PASS |
| Forces [step 4] | -2.574370770489980e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 2.292938406367462e-07 | PASS |