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] |
-1.058224115547050e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.177899163934853e-09 |
PASS |
| Energy [step 3] |
-1.058220088844468e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.486024162200010e-09 |
PASS |
| Energy [step 4] |
-1.058217201113002e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.093239607845135e-09 |
PASS |
| Forces [step 1] |
-2.249921906360466e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.579591620483384e-09 |
PASS |
| Forces [step 2] |
-2.378889622157299e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.834354762531021e-08 |
PASS |
| Forces [step 3] |
-2.490739819443175e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
-3.591030228733416e-08 |
PASS |
| Forces [step 4] |
-2.574435065469228e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.386234449480718e-07 |
PASS |