Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138856e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908521837407534e-09 |
PASS |
| Energy [step 2] |
-1.058226789869166e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.415124514409399e-09 |
PASS |
| Energy [step 3] |
-1.058222762734419e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.727082973474353e-09 |
PASS |
| Energy [step 4] |
-1.058219874593088e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
7.898140808038079e-09 |
PASS |
| Forces [step 1] |
-2.249842232026585e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041213004704389e-08 |
PASS |
| Forces [step 2] |
-2.378813106566778e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.239265846331161e-07 |
PASS |
| Forces [step 3] |
-2.490661427713509e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
6.778658120654146e-07 |
PASS |
| Forces [step 4] |
-2.574357428578157e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
1.563485022948452e-06 |
PASS |