Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138836e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.908715460303029e-09 |
PASS |
| Energy [step 2] |
-1.058226789868835e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.418428538130684e-09 |
PASS |
| Energy [step 3] |
-1.058222762740212e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.669147095157314e-09 |
PASS |
| Energy [step 4] |
-1.058219874576435e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.064665379947655e-09 |
PASS |
| Forces [step 1] |
-2.249842232079542e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041742583862693e-08 |
PASS |
| Forces [step 2] |
-2.378813081533640e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.214232707991147e-07 |
PASS |
| Forces [step 3] |
-2.490672131973005e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
-3.925601374521470e-07 |
PASS |
| Forces [step 4] |
-2.574373675759618e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-6.123312318306873e-08 |
PASS |