Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198643510e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.138019952890318e-09 |
PASS |
| Energy [step 2] |
-1.058226791295437e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-6.847590938718895e-09 |
PASS |
| Energy [step 3] |
-1.058222764026179e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.190518237441211e-09 |
PASS |
| Energy [step 4] |
-1.058219875828420e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.455179336559922e-09 |
PASS |
| Forces [step 1] |
-2.249842031505123e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
9.640016146450492e-09 |
PASS |
| Forces [step 2] |
-2.378811158223897e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
7.090770351436682e-08 |
PASS |
| Forces [step 3] |
-2.490665160715145e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
3.045656484790271e-07 |
PASS |
| Forces [step 4] |
-2.574370770489980e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
2.292938406367462e-07 |
PASS |