Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894228e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
-2.176037128265307e-14 |
PASS |
| Energy [step 5] |
-5.157327347418729e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
-2.176037128265307e-14 |
PASS |
| Energy [step 10] |
-5.157327347417254e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-2.753353101070388e-14 |
PASS |
| Energy [step 15] |
-5.157327347416961e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
-2.531308496145357e-14 |
PASS |
| Energy [step 20] |
-5.157327347417157e-01 |
-5.157327347416979e-01 |
2.250000000000000e-14 |
-1.776356839400250e-14 |
PASS |
| Dipole [step 1] |
-3.029051192000604e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-2.291129185176089e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208934e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-4.163336342344337e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886715e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-4.107825191113079e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458504e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
-4.440892098500626e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676944e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-5.218048215738236e-15 |
PASS |