Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894068e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-3.552713678800501e-15 |
PASS |
| Energy [step 5] |
-5.157327347418365e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
1.021405182655144e-14 |
PASS |
| Energy [step 10] |
-5.157327347417130e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-1.509903313490213e-14 |
PASS |
| Energy [step 15] |
-5.157327347416624e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-5.329070518200751e-15 |
PASS |
| Energy [step 20] |
-5.157327347416899e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
7.993605777301127e-15 |
PASS |
| Dipole [step 1] |
-1.596740196118350e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-8.588181892938348e-16 |
PASS |
| Dipole [step 5] |
-1.928247888208907e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-1.498801083243961e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886688e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-1.387778780781446e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458470e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-1.998401444325282e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676896e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-4.440892098500626e-16 |
PASS |