Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893828e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
2.042810365310288e-14 |
PASS |
| Energy [step 5] |
-5.157327347418400e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
6.661338147750939e-15 |
PASS |
| Energy [step 10] |
-5.157327347416846e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
1.332267629550188e-14 |
PASS |
| Energy [step 15] |
-5.157327347416668e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-9.769962616701378e-15 |
PASS |
| Energy [step 20] |
-5.157327347416704e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
2.753353101070388e-14 |
PASS |
| Dipole [step 1] |
8.684372191096641e-16 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
1.606359225934179e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208892e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-5.551115123125783e-17 |
PASS |
| Dipole [step 10] |
-3.545495747886682e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-7.771561172376096e-16 |
PASS |
| Dipole [step 15] |
-4.859689858458482e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-3.219646771412954e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676890e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
2.220446049250313e-16 |
PASS |