Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386753e-01 |
-5.571785867386825e-01 |
3.360000000000000e-14 |
7.216449660063518e-15 |
PASS |
| Energy [step 5] |
-5.157175387707195e-01 |
-5.157175387707220e-01 |
2.970000000000000e-14 |
2.553512956637860e-15 |
PASS |
| Energy [step 10] |
-5.157175387705667e-01 |
-5.157175387705686e-01 |
2.910000000000000e-14 |
1.887379141862766e-15 |
PASS |
| Energy [step 15] |
-5.157175387705312e-01 |
-5.157175387705311e-01 |
3.190000000000000e-14 |
-1.110223024625157e-16 |
PASS |
| Energy [step 20] |
-5.157175387705534e-01 |
-5.157175387705559e-01 |
3.990000000000000e-14 |
2.553512956637860e-15 |
PASS |
| Dipole [step 1] |
-1.788167289563811e-15 |
-7.379220068245151e-16 |
2.190000000000000e-15 |
-1.050245282739296e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315509e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
-8.604228440844963e-16 |
PASS |
| Dipole [step 10] |
-3.545506487499313e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
-1.332267629550188e-15 |
PASS |
| Dipole [step 15] |
-4.859711921536422e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
-2.220446049250313e-15 |
PASS |
| Dipole [step 20] |
-6.087147749202602e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-1.110223024625157e-15 |
PASS |