Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138813e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908949939405829e-09 |
PASS |
| Energy [step 2] |
-1.058226789868541e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421368408699891e-09 |
PASS |
| Energy [step 3] |
-1.058222762687843e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.192838407694580e-09 |
PASS |
| Energy [step 4] |
-1.058219874473694e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
9.092074648719972e-09 |
PASS |
| Forces [step 1] |
-2.249842232064847e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041595629192038e-08 |
PASS |
| Forces [step 2] |
-2.378813082312657e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.215011724564619e-07 |
PASS |
| Forces [step 3] |
-2.490665909901223e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.296470406892848e-07 |
PASS |
| Forces [step 4] |
-2.574371205050960e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.858377425834057e-07 |
PASS |