Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680674e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112161526379168e-09 |
PASS |
| Energy [step 2] |
-1.058224115548235e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.166050863816054e-09 |
PASS |
| Energy [step 3] |
-1.058220088778572e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.144977942630248e-09 |
PASS |
| Energy [step 4] |
-1.058217200988850e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.334754942827203e-09 |
PASS |
| Forces [step 1] |
-2.249921906406231e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.584168098568767e-09 |
PASS |
| Forces [step 2] |
-2.378889632684545e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-1.939627217173445e-08 |
PASS |
| Forces [step 3] |
-2.490733219401176e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
6.240938976442845e-07 |
PASS |
| Forces [step 4] |
-2.574429359920890e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
8.091782788266499e-07 |
PASS |