Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198643400e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.136923940720408e-09 |
PASS |
| Energy [step 2] |
-1.058226791295459e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-6.847812983323820e-09 |
PASS |
| Energy [step 3] |
-1.058222764045888e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.387606805129508e-09 |
PASS |
| Energy [step 4] |
-1.058219875790693e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.077909565580740e-09 |
PASS |
| Forces [step 1] |
-2.249842031515953e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
9.638933068378819e-09 |
PASS |
| Forces [step 2] |
-2.378811164168967e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
7.031319651518153e-08 |
PASS |
| Forces [step 3] |
-2.490665687344780e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.519026850167361e-07 |
PASS |
| Forces [step 4] |
-2.574372453563030e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
6.098653559938327e-08 |
PASS |