Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138849e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908585786253752e-09 |
PASS |
| Energy [step 2] |
-1.058226789868623e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.420549508196927e-09 |
PASS |
| Energy [step 3] |
-1.058222762732924e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.742027463564227e-09 |
PASS |
| Energy [step 4] |
-1.058219874578364e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.045374144671769e-09 |
PASS |
| Forces [step 1] |
-2.249842232047877e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041425926051609e-08 |
PASS |
| Forces [step 2] |
-2.378813087744718e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.220443785754366e-07 |
PASS |
| Forces [step 3] |
-2.490671543212435e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
-3.336840804779584e-07 |
PASS |
| Forces [step 4] |
-2.574373535472002e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-4.720436153071716e-08 |
PASS |