Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138703e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.910051280646258e-09 |
PASS |
| Energy [step 2] |
-1.058226789868797e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.418806902137476e-09 |
PASS |
| Energy [step 3] |
-1.058222762697878e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.092492009836860e-09 |
PASS |
| Energy [step 4] |
-1.058219874520489e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.624132519230443e-09 |
PASS |
| Forces [step 1] |
-2.249842232054807e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041495226172806e-08 |
PASS |
| Forces [step 2] |
-2.378813099818707e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.232517775340281e-07 |
PASS |
| Forces [step 3] |
-2.490668311303547e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
-1.049319173218599e-08 |
PASS |
| Forces [step 4] |
-2.574389754106193e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
-1.669067780651901e-06 |
PASS |