Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680670e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112200606229635e-09 |
PASS |
| Energy [step 2] |
-1.058224115548423e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.164173254636808e-09 |
PASS |
| Energy [step 3] |
-1.058220088723634e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.694360704135761e-09 |
PASS |
| Energy [step 4] |
-1.058217200863524e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
7.588015549231386e-09 |
PASS |
| Forces [step 1] |
-2.249921906317639e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.575308879654742e-09 |
PASS |
| Forces [step 2] |
-2.378889669271443e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-2.305496205057267e-08 |
PASS |
| Forces [step 3] |
-2.490735910525873e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.549814278636099e-07 |
PASS |
| Forces [step 4] |
-2.574444473213892e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-7.021510213811588e-07 |
PASS |