Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893970e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
6.217248937900877e-15 |
PASS |
| Energy [step 5] |
-5.157327347418453e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
1.332267629550188e-15 |
PASS |
| Energy [step 10] |
-5.157327347416979e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Energy [step 15] |
-5.157327347416739e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-1.687538997430238e-14 |
PASS |
| Energy [step 20] |
-5.157327347416846e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
1.332267629550188e-14 |
PASS |
| Dipole [step 1] |
-4.909184631073441e-16 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
2.470035437171710e-16 |
PASS |
| Dipole [step 5] |
-1.928247888208899e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-7.494005416219807e-16 |
PASS |
| Dipole [step 10] |
-3.545495747886675e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-1.110223024625157e-16 |
PASS |
| Dipole [step 15] |
-4.859689858458448e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
2.220446049250313e-16 |
PASS |
| Dipole [step 20] |
-6.087120870676888e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
4.440892098500626e-16 |
PASS |