Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680662e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112278765930569e-09 |
PASS |
| Energy [step 2] |
-1.058224115548195e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.166445215034400e-09 |
PASS |
| Energy [step 3] |
-1.058220088776951e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.161187198789776e-09 |
PASS |
| Energy [step 4] |
-1.058217200992925e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.294010646001880e-09 |
PASS |
| Forces [step 1] |
-2.249921906406521e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.584197075389710e-09 |
PASS |
| Forces [step 2] |
-2.378889632314039e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.935922158691206e-08 |
PASS |
| Forces [step 3] |
-2.490733274783510e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
6.185556641613577e-07 |
PASS |
| Forces [step 4] |
-2.574444381126268e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-6.929422590729040e-07 |
PASS |