Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680712e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111777833301858e-09 |
PASS |
| Energy [step 2] |
-1.058224115547114e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.177257899115830e-09 |
PASS |
| Energy [step 3] |
-1.058220088837606e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
6.554643050549203e-09 |
PASS |
| Energy [step 4] |
-1.058217201117714e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
5.046119966323204e-09 |
PASS |
| Forces [step 1] |
-2.249921906368598e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.580404775582195e-09 |
PASS |
| Forces [step 2] |
-2.378889620551028e-01 |
-2.378889438721823e-01 |
5.830000000000000e-08 |
-1.818292055810744e-08 |
PASS |
| Forces [step 3] |
-2.490740670358973e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-1.210018820696490e-07 |
PASS |
| Forces [step 4] |
-2.574450269807637e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-1.281810395881156e-06 |
PASS |