Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198643578e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.138703850273487e-09 |
PASS |
| Energy [step 2] |
-1.058226791295336e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-6.846574862606758e-09 |
PASS |
| Energy [step 3] |
-1.058222764036027e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.289001236974400e-09 |
PASS |
| Energy [step 4] |
-1.058219875838454e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.555516852633446e-09 |
PASS |
| Forces [step 1] |
-2.249842031469927e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
9.643535719972007e-09 |
PASS |
| Forces [step 2] |
-2.378811165550535e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
7.017503972361894e-08 |
PASS |
| Forces [step 3] |
-2.490665349396390e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.856975239995396e-07 |
PASS |
| Forces [step 4] |
-2.574367472471805e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
5.590956581036366e-07 |
PASS |