Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198720714e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.910056609716776e-09 |
PASS |
| Energy [step 2] |
-1.058226791348808e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.381295574759861e-09 |
PASS |
| Energy [step 3] |
-1.058222763926020e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-4.188926538972737e-09 |
PASS |
| Energy [step 4] |
-1.058219875570743e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-1.878408539823795e-09 |
PASS |
| Forces [step 1] |
-2.249842023732002e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.041732816675633e-08 |
PASS |
| Forces [step 2] |
-2.378810664047957e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.203252974757429e-07 |
PASS |
| Forces [step 3] |
-2.490662231298916e-01 |
-2.490668206371630e-01 |
1.230000000000000e-06 |
5.975072713826357e-07 |
PASS |
| Forces [step 4] |
-2.574370210826932e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
2.852601454494952e-07 |
PASS |