Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125197138803e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
7.909044086318318e-09 |
PASS |
| Energy [step 2] |
-1.058226789868748e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
7.419304282052508e-09 |
PASS |
| Energy [step 3] |
-1.058222762724336e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
7.827905434965032e-09 |
PASS |
| Energy [step 4] |
-1.058219874564876e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
8.180263577628466e-09 |
PASS |
| Forces [step 1] |
-2.249842232081876e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
-1.041765915199555e-08 |
PASS |
| Forces [step 2] |
-2.378813081207540e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-1.213906607733239e-07 |
PASS |
| Forces [step 3] |
-2.490678702692501e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
-1.049632087080088e-06 |
PASS |
| Forces [step 4] |
-2.574375388974072e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
-2.325545685466501e-07 |
PASS |