Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680689e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112010536047819e-09 |
PASS |
| Energy [step 2] |
-1.058224115548019e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.168205584662246e-09 |
PASS |
| Energy [step 3] |
-1.058220088754638e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.384317157743681e-09 |
PASS |
| Energy [step 4] |
-1.058217200966088e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.562382637298469e-09 |
PASS |
| Forces [step 1] |
-2.249921906400432e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.583588256838581e-09 |
PASS |
| Forces [step 2] |
-2.378889629425919e-01 |
-2.378889438721823e-01 |
5.830000000000000e-08 |
-1.907040958482042e-08 |
PASS |
| Forces [step 3] |
-2.490732947212328e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
6.513127824292475e-07 |
PASS |
| Forces [step 4] |
-2.574428948580823e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
8.503122854719436e-07 |
PASS |