Input 10-bomd.03-td_restart.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-serial-full: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717700e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.879917163222672e-09 | PASS |
| Energy [step 2] | -1.058226791345158e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.344802099851222e-09 | PASS |
| Energy [step 3] | -1.058222763874861e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -3.677342874652823e-09 | PASS |
| Energy [step 4] | -1.058219875490566e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.076639222219455e-09 | PASS |
| Forces [step 1] | -2.249842024212902e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.036923819031088e-08 | PASS |
| Forces [step 2] | -2.378810648260193e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.219040738908994e-07 | PASS |
| Forces [step 3] | -2.490660136904039e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 8.069467590798851e-07 | PASS |
| Forces [step 4] | -2.574376428178656e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -3.364750269518879e-07 | PASS |