Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138807e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.909006782824690e-09 |
PASS |
| Energy [step 2] |
-1.058226789868538e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421396830409321e-09 |
PASS |
| Energy [step 3] |
-1.058222762692837e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.142903240582200e-09 |
PASS |
| Energy [step 4] |
-1.058219874508556e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.743461066273994e-09 |
PASS |
| Forces [step 1] |
-2.249842232058898e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041536143442379e-08 |
PASS |
| Forces [step 2] |
-2.378813084965825e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.217664893360393e-07 |
PASS |
| Forces [step 3] |
-2.490666098436023e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.107935607176259e-07 |
PASS |
| Forces [step 4] |
-2.574374136143873e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-1.072715486993836e-07 |
PASS |