Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138824e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908838028924947e-09 |
PASS |
| Energy [step 2] |
-1.058226789869141e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.415366098939558e-09 |
PASS |
| Energy [step 3] |
-1.058222762734299e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.728276685270430e-09 |
PASS |
| Energy [step 4] |
-1.058219874568444e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.144574792368076e-09 |
PASS |
| Forces [step 1] |
-2.249842232091298e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041860142603213e-08 |
PASS |
| Forces [step 2] |
-2.378813084666456e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.217365523664693e-07 |
PASS |
| Forces [step 3] |
-2.490672911427908e-01 |
-2.490668206371630e-01 |
1.230000000000000e-06 |
-4.705056277920505e-07 |
PASS |
| Forces [step 4] |
-2.574371405557485e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.657870901672354e-07 |
PASS |