Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138838e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908697696734635e-09 |
PASS |
| Energy [step 2] |
-1.058226789868571e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421068204394032e-09 |
PASS |
| Energy [step 3] |
-1.058222762694260e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.128665740514407e-09 |
PASS |
| Energy [step 4] |
-1.058219874493086e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.898155101633165e-09 |
PASS |
| Forces [step 1] |
-2.249842232053875e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041485911401629e-08 |
PASS |
| Forces [step 2] |
-2.378813085142782e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.217841850142953e-07 |
PASS |
| Forces [step 3] |
-2.490666155290061e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.051081569587332e-07 |
PASS |
| Forces [step 4] |
-2.574376581791696e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-3.518363309584771e-07 |
PASS |