Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198643388e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.136804924812168e-09 |
PASS |
| Energy [step 2] |
-1.058226791295455e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-6.847773903473353e-09 |
PASS |
| Energy [step 3] |
-1.058222764039595e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.324677587736915e-09 |
PASS |
| Energy [step 4] |
-1.058219875794837e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.119350194287108e-09 |
PASS |
| Forces [step 1] |
-2.249842031506293e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
9.639899156699272e-09 |
PASS |
| Forces [step 2] |
-2.378811169488229e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
6.978127031764814e-08 |
PASS |
| Forces [step 3] |
-2.490665463617233e-01 |
-2.490668206371630e-01 |
1.070000000000000e-06 |
2.742754397211389e-07 |
PASS |
| Forces [step 4] |
-2.574368039227110e-01 |
-2.574373063428386e-01 |
1.840000000000000e-06 |
5.024201276127016e-07 |
PASS |