Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138800e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.909083166168784e-09 |
PASS |
| Energy [step 2] |
-1.058226789868566e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.421116166028696e-09 |
PASS |
| Energy [step 3] |
-1.058222762721803e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.853241612565398e-09 |
PASS |
| Energy [step 4] |
-1.058219874544172e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.387297967260565e-09 |
PASS |
| Forces [step 1] |
-2.249842232055754e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041504699150764e-08 |
PASS |
| Forces [step 2] |
-2.378813087283368e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.219982436184708e-07 |
PASS |
| Forces [step 3] |
-2.490670045668691e-01 |
-2.490668206371630e-01 |
1.230000000000000e-06 |
-1.839297060490797e-07 |
PASS |
| Forces [step 4] |
-2.574369590128042e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
3.473300344003505e-07 |
PASS |