Input 10-bomd.03-td_restart.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717901e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.881931551878552e-09 | PASS |
| Energy [step 2] | -1.058226791345570e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.348916142291273e-09 | PASS |
| Energy [step 3] | -1.058222764033745e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.266182157015464e-09 | PASS |
| Energy [step 4] | -1.058219875809173e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -4.262707520297226e-09 | PASS |
| Forces [step 1] | -2.249842024217545e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.036877389504198e-08 | PASS |
| Forces [step 2] | -2.378810644940678e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.222360253849697e-07 | PASS |
| Forces [step 3] | -2.490664450500898e-01 | -2.490668206371630e-01 | 1.230000000000000e-06 | 3.755870731647626e-07 | PASS |
| Forces [step 4] | -2.574372707691692e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 3.557366945461382e-08 | PASS |