Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680660e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112298305855802e-09 |
PASS |
| Energy [step 2] |
-1.058224115547954e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.168861060335985e-09 |
PASS |
| Energy [step 3] |
-1.058220088754595e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.384748812455655e-09 |
PASS |
| Energy [step 4] |
-1.058217200958940e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.633856131088578e-09 |
PASS |
| Forces [step 1] |
-2.249921906401836e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.583728589028894e-09 |
PASS |
| Forces [step 2] |
-2.378889628983109e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.902612864479458e-08 |
PASS |
| Forces [step 3] |
-2.490733309866723e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
6.150473428889747e-07 |
PASS |
| Forces [step 4] |
-2.574434664396730e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
2.787306947471535e-07 |
PASS |