Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680602e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112880950899125e-09 |
PASS |
| Energy [step 2] |
-1.058224115550203e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.146368830035499e-09 |
PASS |
| Energy [step 3] |
-1.058220088787854e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.052163297771585e-09 |
PASS |
| Energy [step 4] |
-1.058217201025101e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.972246697183436e-09 |
PASS |
| Forces [step 1] |
-2.249921906442147e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.587759697809005e-09 |
PASS |
| Forces [step 2] |
-2.378889665308219e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.265863960349002e-08 |
PASS |
| Forces [step 3] |
-2.490737732672017e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.727668135220739e-07 |
PASS |
| Forces [step 4] |
-2.574438110335348e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-6.586316697587691e-08 |
PASS |