Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102734e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.108443611514303e-09 |
PASS |
| Energy [step 2] |
-1.058224116978026e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
-7.131863100084956e-09 |
PASS |
| Energy [step 3] |
-1.058220090222948e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
-7.298782023212880e-09 |
PASS |
| Energy [step 4] |
-1.058217202449401e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
-8.270747642313836e-09 |
PASS |
| Forces [step 1] |
-2.249921734995501e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
8.556904851353409e-09 |
PASS |
| Forces [step 2] |
-2.378889462285484e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-2.356366102240770e-09 |
PASS |
| Forces [step 3] |
-2.490737519128904e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.941211247857844e-07 |
PASS |
| Forces [step 4] |
-2.574432333041221e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
5.118662457226364e-07 |
PASS |