Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102833e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.109429489560171e-09 |
PASS |
| Energy [step 2] |
-1.058224116952309e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
-6.874694591374464e-09 |
PASS |
| Energy [step 3] |
-1.058220090195202e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
-7.021320413969079e-09 |
PASS |
| Energy [step 4] |
-1.058217202448017e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
-8.256915151605426e-09 |
PASS |
| Forces [step 1] |
-2.249921734798467e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
8.576608256927187e-09 |
PASS |
| Forces [step 2] |
-2.378888998315488e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
4.404063344565223e-08 |
PASS |
| Forces [step 3] |
-2.490737895838362e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
1.564501789508288e-07 |
PASS |
| Forces [step 4] |
-2.574429794021587e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
7.657682091211093e-07 |
PASS |