Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138834e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908738552941941e-09 |
PASS |
| Energy [step 2] |
-1.058226789868577e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421006031904653e-09 |
PASS |
| Energy [step 3] |
-1.058222762697642e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.094854564433263e-09 |
PASS |
| Energy [step 4] |
-1.058219874485130e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.977719900826742e-09 |
PASS |
| Forces [step 1] |
-2.249842232064778e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041594935302648e-08 |
PASS |
| Forces [step 2] |
-2.378813081628935e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.214328002596687e-07 |
PASS |
| Forces [step 3] |
-2.490665992197702e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.214173928094532e-07 |
PASS |
| Forces [step 4] |
-2.574360923321083e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.214010730332671e-06 |
PASS |