Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893890e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
1.199040866595169e-14 |
PASS |
| Energy [step 5] |
-5.157327347418444e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
6.661338147750939e-15 |
PASS |
| Energy [step 10] |
-5.157327347417006e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-2.664535259100376e-15 |
PASS |
| Energy [step 15] |
-5.157327347416633e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
7.549516567451064e-15 |
PASS |
| Energy [step 20] |
-5.157327347416908e-01 |
-5.157327347416979e-01 |
2.250000000000000e-14 |
7.105427357601002e-15 |
PASS |
| Dipole [step 1] |
2.211071169905265e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
2.948993176729780e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208878e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
1.415534356397075e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886652e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
2.220446049250313e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458432e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
2.664535259100376e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676881e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
1.110223024625157e-15 |
PASS |