Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138808e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908996124683654e-09 |
PASS |
| Energy [step 2] |
-1.058226789868531e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421474990110255e-09 |
PASS |
| Energy [step 3] |
-1.058222762683765e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
8.233623560727210e-09 |
PASS |
| Energy [step 4] |
-1.058219874498182e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.847200305694969e-09 |
PASS |
| Forces [step 1] |
-2.249842232061830e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041565458881344e-08 |
PASS |
| Forces [step 2] |
-2.378813083612985e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.216312053298196e-07 |
PASS |
| Forces [step 3] |
-2.490665834106322e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
2.372265308359101e-07 |
PASS |
| Forces [step 4] |
-2.574375429048804e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
-2.365620417887904e-07 |
PASS |