Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198717700e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.879917163222672e-09 |
PASS |
| Energy [step 2] |
-1.058226791345158e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-7.344802099851222e-09 |
PASS |
| Energy [step 3] |
-1.058222763874861e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-3.677342874652823e-09 |
PASS |
| Energy [step 4] |
-1.058219875490566e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-1.076639222219455e-09 |
PASS |
| Forces [step 1] |
-2.249842024212902e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
1.036923819031088e-08 |
PASS |
| Forces [step 2] |
-2.378810648260193e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
1.219040738908994e-07 |
PASS |
| Forces [step 3] |
-2.490660136904039e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
8.069467590798851e-07 |
PASS |
| Forces [step 4] |
-2.574376428178656e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-3.364750269518879e-07 |
PASS |