Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717802e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.880942121119006e-09 |
PASS |
| Energy [step 2] |
-1.058226791345243e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.345645869349937e-09 |
PASS |
| Energy [step 3] |
-1.058222763895758e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-3.886306387812510e-09 |
PASS |
| Energy [step 4] |
-1.058219875520666e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-1.377639335942149e-09 |
PASS |
| Forces [step 1] |
-2.249842024225046e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036802377285539e-08 |
PASS |
| Forces [step 2] |
-2.378810636286451e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.231014480629344e-07 |
PASS |
| Forces [step 3] |
-2.490660850108312e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
7.356263317936929e-07 |
PASS |
| Forces [step 4] |
-2.574378006260591e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-4.942832205201420e-07 |
PASS |