Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680651e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112390676411451e-09 |
PASS |
| Energy [step 2] |
-1.058224115558249e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.065908746994864e-09 |
PASS |
| Energy [step 3] |
-1.058220088773809e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.192609174921927e-09 |
PASS |
| Energy [step 4] |
-1.058217200963741e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.585848311146947e-09 |
PASS |
| Forces [step 1] |
-2.249921906510579e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.594602890488190e-09 |
PASS |
| Forces [step 2] |
-2.378889809747643e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-3.710258200673167e-08 |
PASS |
| Forces [step 3] |
-2.490735662232289e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.798107862940103e-07 |
PASS |
| Forces [step 4] |
-2.574428388605352e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
9.063098326267394e-07 |
PASS |