Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893917e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
9.325873406851315e-15 |
PASS |
| Energy [step 5] |
-5.157327347418729e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
-2.176037128265307e-14 |
PASS |
| Energy [step 10] |
-5.157327347416899e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
7.993605777301127e-15 |
PASS |
| Energy [step 15] |
-5.157327347416641e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
6.661338147750939e-15 |
PASS |
| Energy [step 20] |
-5.157327347416872e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
1.065814103640150e-14 |
PASS |
| Dipole [step 1] |
3.431364933403729e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
4.169286940228244e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208865e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
2.692290834716005e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886636e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
3.774758283725532e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458426e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
3.330669073875470e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676829e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
6.328271240363392e-15 |
PASS |