Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894113e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
-1.021405182655144e-14 |
PASS |
| Energy [step 5] |
-5.157327347418587e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
-7.549516567451064e-15 |
PASS |
| Energy [step 10] |
-5.157327347417219e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-2.398081733190338e-14 |
PASS |
| Energy [step 15] |
-5.157327347416455e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
2.531308496145357e-14 |
PASS |
| Energy [step 20] |
-5.157327347416837e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
1.421085471520200e-14 |
PASS |
| Dipole [step 1] |
-1.576976769383353e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-8.390547625588379e-16 |
PASS |
| Dipole [step 5] |
-1.928247888208909e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-1.720845688168993e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886697e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-2.275957200481571e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458489e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
-2.997602166487923e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676923e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-3.108624468950438e-15 |
PASS |