Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102723e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.108328148319742e-09 |
PASS |
| Energy [step 2] |
-1.058224116952264e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
-6.874245173094096e-09 |
PASS |
| Energy [step 3] |
-1.058220090195487e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
-7.024171466696316e-09 |
PASS |
| Energy [step 4] |
-1.058217202439747e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
-8.174211529876629e-09 |
PASS |
| Forces [step 1] |
-2.249921734808165e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
8.575638504870753e-09 |
PASS |
| Forces [step 2] |
-2.378888997704124e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
4.410176993041581e-08 |
PASS |
| Forces [step 3] |
-2.490737567616619e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.892723532626039e-07 |
PASS |
| Forces [step 4] |
-2.574434401972578e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
3.049731099880049e-07 |
PASS |