Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386770e-01 |
-5.571785867386825e-01 |
6.260000000000001e-14 |
5.440092820663267e-15 |
PASS |
| Energy [step 5] |
-5.157175387707195e-01 |
-5.157175387707220e-01 |
5.360000000000000e-14 |
2.553512956637860e-15 |
PASS |
| Energy [step 10] |
-5.157175387705667e-01 |
-5.157175387705686e-01 |
4.190000000000000e-14 |
1.887379141862766e-15 |
PASS |
| Energy [step 15] |
-5.157175387705294e-01 |
-5.157175387705311e-01 |
4.380000000000000e-14 |
1.665334536937735e-15 |
PASS |
| Energy [step 20] |
-5.157175387705516e-01 |
-5.157175387705559e-01 |
4.870000000000000e-14 |
4.329869796038111e-15 |
PASS |
| Dipole [step 1] |
-5.172257153823745e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-4.434335146999230e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315539e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
-3.913536161803677e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499341e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
-4.163336342344337e-15 |
PASS |
| Dipole [step 15] |
-4.859711921536446e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
-4.662936703425657e-15 |
PASS |
| Dipole [step 20] |
-6.087147749202623e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-3.219646771412954e-15 |
PASS |