Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680631e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112587852020624e-09 |
PASS |
| Energy [step 2] |
-1.058224115557066e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.077737507188431e-09 |
PASS |
| Energy [step 3] |
-1.058220088806780e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
6.862901358317686e-09 |
PASS |
| Energy [step 4] |
-1.058217201026411e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
5.959149618206538e-09 |
PASS |
| Forces [step 1] |
-2.249921906503523e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.593897343756041e-09 |
PASS |
| Forces [step 2] |
-2.378889788086832e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-3.493650091446199e-08 |
PASS |
| Forces [step 3] |
-2.490734813565368e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
4.646774784122787e-07 |
PASS |
| Forces [step 4] |
-2.574436685884745e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
7.658189327131026e-08 |
PASS |