Input 10-bomd.03-td_restart.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198718225e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.885168074039939e-09 | PASS |
| Energy [step 2] | -1.058226791345584e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.349058250838425e-09 | PASS |
| Energy [step 3] | -1.058222763916784e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -4.096573746892318e-09 | PASS |
| Energy [step 4] | -1.058219875559029e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.761266688049545e-09 | PASS |
| Forces [step 1] | -2.249842024188388e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.037168959050483e-08 | PASS |
| Forces [step 2] | -2.378810633600390e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.233700542002669e-07 | PASS |
| Forces [step 3] | -2.490661379805973e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 6.826565657480632e-07 | PASS |
| Forces [step 4] | -2.574373647073567e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | -5.836451805185661e-08 | PASS |