Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894201e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
-1.909583602355269e-14 |
PASS |
| Energy [step 5] |
-5.157327347418738e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
-2.264854970235319e-14 |
PASS |
| Energy [step 10] |
-5.157327347417183e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-2.042810365310288e-14 |
PASS |
| Energy [step 15] |
-5.157327347416713e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
-4.440892098500626e-16 |
PASS |
| Energy [step 20] |
-5.157327347417014e-01 |
-5.157327347416979e-01 |
2.250000000000000e-14 |
-3.552713678800501e-15 |
PASS |
| Dipole [step 1] |
2.439070612961138e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
3.176992619785653e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208877e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
1.471045507628332e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886666e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
7.771561172376096e-16 |
PASS |
| Dipole [step 15] |
-4.859689858458445e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
1.387778780781446e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676891e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
1.110223024625157e-16 |
PASS |