Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058125198644085e+01 |
-1.058125197929708e+01 |
8.700000000000000e-09 |
-7.143773572693135e-09 |
PASS |
| Energy [step 2] |
-1.058226791295481e+01 |
-1.058226790610678e+01 |
8.160000000000000e-09 |
-6.848031475215066e-09 |
PASS |
| Energy [step 3] |
-1.058222764047261e+01 |
-1.058222763507127e+01 |
9.060000000000000e-09 |
-5.401341596211751e-09 |
PASS |
| Energy [step 4] |
-1.058219875849922e+01 |
-1.058219875382902e+01 |
9.840000000000001e-09 |
-4.670202002898804e-09 |
PASS |
| Forces [step 1] |
-2.249842031429003e-01 |
-2.249842127905284e-01 |
1.150000000000000e-08 |
9.647628113063078e-09 |
PASS |
| Forces [step 2] |
-2.378811150303440e-01 |
-2.378811867300932e-01 |
1.360000000000000e-07 |
7.169974916565458e-08 |
PASS |
| Forces [step 3] |
-2.490665755074339e-01 |
-2.490668206371630e-01 |
1.380000000000000e-06 |
2.451297290984034e-07 |
PASS |
| Forces [step 4] |
-2.574370893390966e-01 |
-2.574373063428386e-01 |
2.150000000000000e-06 |
2.170037420312632e-07 |
PASS |