Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894290e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-2.575717417130363e-14 |
PASS |
| Energy [step 5] |
-5.157327347418214e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
2.531308496145357e-14 |
PASS |
| Energy [step 10] |
-5.157327347417023e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-4.440892098500626e-15 |
PASS |
| Energy [step 15] |
-5.157327347416393e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
1.776356839400250e-14 |
PASS |
| Energy [step 20] |
-5.157327347416739e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
2.398081733190338e-14 |
PASS |
| Dipole [step 1] |
3.929287437413019e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
4.667209444237534e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208857e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
3.469446951953614e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886639e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
3.497202527569243e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458406e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
4.440892098500626e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676850e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
4.218847493575595e-15 |
PASS |