Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138834e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908743882012459e-09 |
PASS |
| Energy [step 2] |
-1.058226789868811e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.418673675374521e-09 |
PASS |
| Energy [step 3] |
-1.058222762742713e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.644139543572237e-09 |
PASS |
| Energy [step 4] |
-1.058219874556196e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.267056372801562e-09 |
PASS |
| Forces [step 1] |
-2.249842232039484e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041341998742062e-08 |
PASS |
| Forces [step 2] |
-2.378813095893878e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.228592945989870e-07 |
PASS |
| Forces [step 3] |
-2.490662613746625e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
5.592625005323981e-07 |
PASS |
| Forces [step 4] |
-2.574365852126409e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
7.211301977227969e-07 |
PASS |