Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680695e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.111951916272119e-09 |
PASS |
| Energy [step 2] |
-1.058224115547529e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
7.173111882252670e-09 |
PASS |
| Energy [step 3] |
-1.058220088753418e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
7.396522505587200e-09 |
PASS |
| Energy [step 4] |
-1.058217200952356e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
6.699696797340948e-09 |
PASS |
| Forces [step 1] |
-2.249921906387906e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
-8.582335592199897e-09 |
PASS |
| Forces [step 2] |
-2.378889623225675e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
-1.845038519188158e-08 |
PASS |
| Forces [step 3] |
-2.490735582974902e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
3.877365250259945e-07 |
PASS |
| Forces [step 4] |
-2.574433298758139e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
4.152945538571373e-07 |
PASS |