Input 10-bomd.03-td_restart.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198717641e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.879329189108830e-09 | PASS |
| Energy [step 2] | -1.058226791345225e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.345464680952318e-09 | PASS |
| Energy [step 3] | -1.058222764033829e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -5.267020597443661e-09 | PASS |
| Energy [step 4] | -1.058219875772635e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -3.897328682000989e-09 | PASS |
| Forces [step 1] | -2.249842024231868e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.036734159631791e-08 | PASS |
| Forces [step 2] | -2.378810645973199e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.221327733391675e-07 | PASS |
| Forces [step 3] | -2.490664630529646e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 3.575841984460038e-07 | PASS |
| Forces [step 4] | -2.574368916161835e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 4.147266550735829e-07 | PASS |