Input 10-bomd.03-td_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058122523680668e+01 |
-1.058122524391890e+01 |
7.820000000000000e-09 |
7.112221922511708e-09 |
PASS |
| Energy [step 2] |
-1.058224115547339e+01 |
-1.058224116264840e+01 |
7.900000000000000e-09 |
7.175007255000310e-09 |
PASS |
| Energy [step 3] |
-1.058220088764195e+01 |
-1.058220089493070e+01 |
8.400000000000001e-09 |
7.288747383427108e-09 |
PASS |
| Energy [step 4] |
-1.058217200967642e+01 |
-1.058217201622326e+01 |
8.890000000000001e-09 |
6.546839514953717e-09 |
PASS |
| Forces [step 1] |
-2.249921906340417e-01 |
-2.249921820564550e-01 |
9.450000000000000e-09 |
-8.577586724234365e-09 |
PASS |
| Forces [step 2] |
-2.378889637961045e-01 |
-2.378889438721823e-01 |
4.830000000000000e-08 |
-1.992392220651062e-08 |
PASS |
| Forces [step 3] |
-2.490736679492019e-01 |
-2.490739460340152e-01 |
1.480000000000000e-06 |
2.780848133154823e-07 |
PASS |
| Forces [step 4] |
-2.574437074323401e-01 |
-2.574437451703678e-01 |
2.180000000000000e-06 |
3.773802764728273e-08 |
PASS |