Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198718236e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.885279984520821e-09 |
PASS |
| Energy [step 2] |
-1.058226791345970e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.352916497893602e-09 |
PASS |
| Energy [step 3] |
-1.058222764034758e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.276305614643206e-09 |
PASS |
| Energy [step 4] |
-1.058219875800274e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.173720924427471e-09 |
PASS |
| Forces [step 1] |
-2.249842024179368e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.037259156344561e-08 |
PASS |
| Forces [step 2] |
-2.378810652524459e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.214776472746593e-07 |
PASS |
| Forces [step 3] |
-2.490664823731367e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
3.382640262616921e-07 |
PASS |
| Forces [step 4] |
-2.574368575597887e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
4.487830498889345e-07 |
PASS |