Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198503295e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-5.735872221634963e-09 |
PASS |
| Energy [step 2] |
-1.058226791647429e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-1.036750951755039e-08 |
FAIL |
| Energy [step 3] |
-1.058222764914338e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-1.407211236426065e-08 |
FAIL |
| Energy [step 4] |
-1.058219876697766e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-1.314864306323216e-08 |
FAIL |
| Forces [step 1] |
-2.249842074666733e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
5.323855079009121e-09 |
PASS |
| Forces [step 2] |
-2.378832085306475e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
-2.021800554280473e-06 |
FAIL |
| Forces [step 3] |
-2.490649392616713e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
1.881375491757931e-06 |
FAIL |
| Forces [step 4] |
-2.574373858952433e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
-7.955240471924085e-08 |
PASS |