Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893962e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
7.105427357601002e-15 |
PASS |
| Energy [step 5] |
-5.157327347418293e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
1.731947918415244e-14 |
PASS |
| Energy [step 10] |
-5.157327347416908e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
7.105427357601002e-15 |
PASS |
| Energy [step 15] |
-5.157327347416482e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
8.881784197001252e-15 |
PASS |
| Energy [step 20] |
-5.157327347416713e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
2.664535259100376e-14 |
PASS |
| Dipole [step 1] |
6.010063540590193e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
6.747985547414708e-15 |
FAIL |
| Dipole [step 5] |
-1.928247888208832e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
6.022959908591474e-15 |
FAIL |
| Dipole [step 10] |
-3.545495747886609e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
6.439293542825908e-15 |
FAIL |
| Dipole [step 15] |
-4.859689858458404e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
4.607425552194400e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676831e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
6.106226635438361e-15 |
PASS |