Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680716e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111744082521909e-09 |
PASS |
| Energy [step 2] |
-1.058224115547882e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.169584037569621e-09 |
PASS |
| Energy [step 3] |
-1.058220088752726e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.403437862762985e-09 |
PASS |
| Energy [step 4] |
-1.058217200919940e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
7.023858827892582e-09 |
PASS |
| Forces [step 1] |
-2.249921906394853e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.583030314257556e-09 |
PASS |
| Forces [step 2] |
-2.378889627173929e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.884521058648225e-08 |
PASS |
| Forces [step 3] |
-2.490733625174214e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
5.835165937662090e-07 |
PASS |
| Forces [step 4] |
-2.574423808401719e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
1.364330195874341e-06 |
PASS |