Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893633e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
3.996802888650564e-14 |
PASS |
| Energy [step 5] |
-5.157327347418471e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-4.440892098500626e-16 |
PASS |
| Energy [step 10] |
-5.157327347417183e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-2.042810365310288e-14 |
PASS |
| Energy [step 15] |
-5.157327347416348e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
2.220446049250313e-14 |
FAIL |
| Energy [step 20] |
-5.157327347416739e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
2.398081733190338e-14 |
PASS |
| Dipole [step 1] |
3.022493022465829e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
3.760415029290344e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208867e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
2.442490654175344e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886642e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
3.164135620181696e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458442e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
7.771561172376096e-16 |
PASS |
| Dipole [step 20] |
-6.087120870676865e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
2.664535259100376e-15 |
PASS |