Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680657e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112326727565232e-09 |
PASS |
| Energy [step 2] |
-1.058224115557758e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.070823926369485e-09 |
PASS |
| Energy [step 3] |
-1.058220088773614e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.194559614731588e-09 |
PASS |
| Energy [step 4] |
-1.058217200966561e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.557653975391986e-09 |
PASS |
| Forces [step 1] |
-2.249921906506424e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.594187389521224e-09 |
PASS |
| Forces [step 2] |
-2.378889800467087e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-3.617452637438845e-08 |
PASS |
| Forces [step 3] |
-2.490735197461209e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.262878942618009e-07 |
PASS |
| Forces [step 4] |
-2.574425288365182e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
1.216333849585194e-06 |
PASS |