Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717963e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.882546171344984e-09 |
PASS |
| Energy [step 2] |
-1.058226791345333e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.346546482267513e-09 |
PASS |
| Energy [step 3] |
-1.058222763872747e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-3.656195346479763e-09 |
PASS |
| Energy [step 4] |
-1.058219875476236e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-9.333369632713584e-10 |
PASS |
| Forces [step 1] |
-2.249842024206599e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036986846392196e-08 |
PASS |
| Forces [step 2] |
-2.378810636704449e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.230596483048352e-07 |
PASS |
| Forces [step 3] |
-2.490660395286634e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
7.811084996589557e-07 |
PASS |
| Forces [step 4] |
-2.574364319552980e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
8.743875406502788e-07 |
PASS |