Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894175e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-1.421085471520200e-14 |
PASS |
| Energy [step 5] |
-5.157327347418542e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-7.549516567451064e-15 |
PASS |
| Energy [step 10] |
-5.157327347416837e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
1.421085471520200e-14 |
PASS |
| Energy [step 15] |
-5.157327347416490e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
7.993605777301127e-15 |
PASS |
| Energy [step 20] |
-5.157327347416988e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
-8.881784197001252e-16 |
PASS |
| Dipole [step 1] |
-4.055539473582330e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-3.317617466757815e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208937e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-4.524158825347513e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886711e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-3.663735981263017e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458494e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-4.385380947269368e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676916e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-2.442490654175344e-15 |
PASS |