Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138818e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908898425057487e-09 |
PASS |
| Energy [step 2] |
-1.058226789868544e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421339986990461e-09 |
PASS |
| Energy [step 3] |
-1.058222762686780e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.203473456092070e-09 |
PASS |
| Energy [step 4] |
-1.058219874502412e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.804899920278331e-09 |
PASS |
| Forces [step 1] |
-2.249842232063929e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041586447647624e-08 |
PASS |
| Forces [step 2] |
-2.378813082431811e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.215130878973181e-07 |
PASS |
| Forces [step 3] |
-2.490665891332214e-01 |
-2.490668206371630e-01 |
1.230000000000000e-06 |
2.315039415723419e-07 |
PASS |
| Forces [step 4] |
-2.574371227456267e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.835972118779949e-07 |
PASS |