Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894175e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-1.421085471520200e-14 |
PASS |
| Energy [step 5] |
-5.157327347418489e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-2.220446049250313e-15 |
PASS |
| Energy [step 10] |
-5.157327347416748e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
2.309263891220326e-14 |
PASS |
| Energy [step 15] |
-5.157327347416393e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
1.776356839400250e-14 |
PASS |
| Energy [step 20] |
-5.157327347417023e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
-4.440892098500626e-15 |
PASS |
| Dipole [step 1] |
-2.432966547953781e-16 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
4.946253520291370e-16 |
PASS |
| Dipole [step 5] |
-1.928247888208896e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-3.885780586188048e-16 |
PASS |
| Dipole [step 10] |
-3.545495747886676e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-1.665334536937735e-16 |
PASS |
| Dipole [step 15] |
-4.859689858458469e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-1.887379141862766e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676902e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-9.992007221626409e-16 |
PASS |