Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102497e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.106073951490544e-09 |
PASS |
| Energy [step 2] |
-1.058224116961697e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
-6.968569721266249e-09 |
PASS |
| Energy [step 3] |
-1.058220090200415e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
-7.073449381778119e-09 |
PASS |
| Energy [step 4] |
-1.058217202430296e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
-8.079698687879500e-09 |
PASS |
| Forces [step 1] |
-2.249921734941163e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
8.562338726925134e-09 |
PASS |
| Forces [step 2] |
-2.378889156208581e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
2.825132419670418e-08 |
PASS |
| Forces [step 3] |
-2.490731582720340e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
7.877619812302061e-07 |
PASS |
| Forces [step 4] |
-2.574432038973982e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
5.412729695564167e-07 |
PASS |