Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893917e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
1.154631945610163e-14 |
PASS |
| Energy [step 5] |
-5.157327347418578e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-1.110223024625157e-14 |
PASS |
| Energy [step 10] |
-5.157327347417157e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-1.776356839400250e-14 |
PASS |
| Energy [step 15] |
-5.157327347416570e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Energy [step 20] |
-5.157327347416908e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
7.105427357601002e-15 |
PASS |
| Dipole [step 1] |
-1.669160903244871e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-9.312388964203554e-16 |
PASS |
| Dipole [step 5] |
-1.928247888208910e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-1.804112415015879e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886696e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-2.220446049250313e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458473e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-2.275957200481571e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676912e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-1.998401444325282e-15 |
PASS |