Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102936e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.110456223813344e-09 |
PASS |
| Energy [step 2] |
-1.058224116957319e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
-6.924791406959230e-09 |
PASS |
| Energy [step 3] |
-1.058220090189101e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
-6.960311438319877e-09 |
PASS |
| Energy [step 4] |
-1.058217202430094e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
-8.077678970153102e-09 |
PASS |
| Forces [step 1] |
-2.249921734708718e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
8.585583188835955e-09 |
PASS |
| Forces [step 2] |
-2.378889135136493e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
3.035853299304669e-08 |
PASS |
| Forces [step 3] |
-2.490739238376981e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
2.219631708988423e-08 |
PASS |
| Forces [step 4] |
-2.574446105647915e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
-8.653944236769462e-07 |
PASS |