Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138754e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.909537913519671e-09 |
PASS |
| Energy [step 2] |
-1.058226789868478e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421997239021039e-09 |
PASS |
| Energy [step 3] |
-1.058222762683721e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.234060544509703e-09 |
PASS |
| Energy [step 4] |
-1.058219874482471e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
9.004311962712563e-09 |
PASS |
| Forces [step 1] |
-2.249842232069643e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041643593602259e-08 |
PASS |
| Forces [step 2] |
-2.378813083674290e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.216373358425837e-07 |
PASS |
| Forces [step 3] |
-2.490665834425514e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.371946115631296e-07 |
PASS |
| Forces [step 4] |
-2.574380928171563e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-7.864743176710931e-07 |
PASS |