Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138807e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.909006782824690e-09 |
PASS |
| Energy [step 2] |
-1.058226789868627e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.420512204703300e-09 |
PASS |
| Energy [step 3] |
-1.058222762791170e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.159574266779600e-09 |
PASS |
| Energy [step 4] |
-1.058219874689805e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
6.930973128760343e-09 |
PASS |
| Forces [step 1] |
-2.249842232075255e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041699712600597e-08 |
PASS |
| Forces [step 2] |
-2.378813080878663e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.213577730807547e-07 |
PASS |
| Forces [step 3] |
-2.490658477890910e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
9.728480720450072e-07 |
PASS |
| Forces [step 4] |
-2.574378337520478e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
-5.274092091389626e-07 |
PASS |