Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122525102990e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
-7.110999789006200e-09 |
PASS |
| Energy [step 2] |
-1.058224116952744e+01 |
-1.058224116264840e+01 |
1.220000000000000e-08 |
-6.879041336560476e-09 |
PASS |
| Energy [step 3] |
-1.058220090254997e+01 |
-1.058220089493070e+01 |
1.750000000000000e-08 |
-7.619266995106955e-09 |
PASS |
| Energy [step 4] |
-1.058217202582961e+01 |
-1.058217201622326e+01 |
1.880000000000000e-08 |
-9.606353046365257e-09 |
PASS |
| Forces [step 1] |
-2.249921734803390e-01 |
-2.249921820564550e-01 |
6.550000000000000e-08 |
8.576116011793644e-09 |
PASS |
| Forces [step 2] |
-2.378888997196157e-01 |
-2.378889438721823e-01 |
9.500000000000000e-07 |
4.415256660283973e-08 |
PASS |
| Forces [step 3] |
-2.490729860991091e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
9.599349060640527e-07 |
PASS |
| Forces [step 4] |
-2.574434287830975e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
3.163872702716120e-07 |
PASS |