Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893997e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
1.332267629550188e-15 |
PASS |
| Energy [step 5] |
-5.157327347418489e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
2.220446049250313e-15 |
PASS |
| Energy [step 10] |
-5.157327347416881e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
9.769962616701378e-15 |
PASS |
| Energy [step 15] |
-5.157327347416419e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
2.886579864025407e-14 |
FAIL |
| Energy [step 20] |
-5.157327347416881e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
9.769962616701378e-15 |
PASS |
| Dipole [step 1] |
-4.433605826220655e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-3.695683819396140e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208944e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-5.218048215738236e-15 |
FAIL |
| Dipole [step 10] |
-3.545495747886718e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-4.385380947269368e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458496e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
-3.663735981263017e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676932e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-3.996802888650564e-15 |
PASS |