Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894077e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-4.440892098500626e-15 |
PASS |
| Energy [step 5] |
-5.157327347418489e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-2.220446049250313e-15 |
PASS |
| Energy [step 10] |
-5.157327347417228e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-2.486899575160351e-14 |
PASS |
| Energy [step 15] |
-5.157327347416721e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-1.509903313490213e-14 |
PASS |
| Energy [step 20] |
-5.157327347417165e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
-1.865174681370263e-14 |
PASS |
| Dipole [step 1] |
7.778115310034042e-16 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
1.515733537827919e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208899e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-6.938893903907228e-16 |
PASS |
| Dipole [step 10] |
-3.545495747886677e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-2.775557561562891e-16 |
PASS |
| Dipole [step 15] |
-4.859689858458447e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
3.330669073875470e-16 |
PASS |
| Dipole [step 20] |
-6.087120870676909e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-1.665334536937735e-15 |
PASS |