Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680695e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111946587201601e-09 |
PASS |
| Energy [step 2] |
-1.058224115547234e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.176062410962913e-09 |
PASS |
| Energy [step 3] |
-1.058220088817938e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.751319503450759e-09 |
PASS |
| Energy [step 4] |
-1.058217201079247e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.430791816252167e-09 |
PASS |
| Forces [step 1] |
-2.249921906342778e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.577822813160552e-09 |
PASS |
| Forces [step 2] |
-2.378889633400024e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.946782010597836e-08 |
PASS |
| Forces [step 3] |
-2.490736468626028e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
2.991714123656841e-07 |
PASS |
| Forces [step 4] |
-2.574424708974608e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
1.274272907025864e-06 |
PASS |