Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138811e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908964150260545e-09 |
PASS |
| Energy [step 2] |
-1.058226789868684e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.419940217801013e-09 |
PASS |
| Energy [step 3] |
-1.058222762711368e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.957593695095966e-09 |
PASS |
| Energy [step 4] |
-1.058219874530630e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.522722083625922e-09 |
PASS |
| Forces [step 1] |
-2.249842232047113e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041418287717200e-08 |
PASS |
| Forces [step 2] |
-2.378813092026840e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.224725907911228e-07 |
PASS |
| Forces [step 3] |
-2.490656849944352e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
1.135642727800867e-06 |
PASS |
| Forces [step 4] |
-2.574374128219148e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-1.064790762228540e-07 |
PASS |