Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386850e-01 |
-5.571785867386825e-01 |
6.260000000000001e-14 |
-2.553512956637860e-15 |
PASS |
| Energy [step 5] |
-5.157175387707452e-01 |
-5.157175387707220e-01 |
5.360000000000000e-14 |
-2.320366121466577e-14 |
PASS |
| Energy [step 10] |
-5.157175387705809e-01 |
-5.157175387705686e-01 |
4.190000000000000e-14 |
-1.232347557333924e-14 |
PASS |
| Energy [step 15] |
-5.157175387705303e-01 |
-5.157175387705311e-01 |
4.380000000000000e-14 |
7.771561172376096e-16 |
PASS |
| Energy [step 20] |
-5.157175387705365e-01 |
-5.157175387705559e-01 |
4.870000000000000e-14 |
1.942890293094024e-14 |
PASS |
| Dipole [step 1] |
-2.866149608908618e-15 |
-7.379220068245151e-16 |
2.960000000000000e-15 |
-2.128227602084103e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315513e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
-1.304512053934559e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499305e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
-4.996003610813204e-16 |
PASS |
| Dipole [step 15] |
-4.859711921536423e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
-2.331468351712829e-15 |
PASS |
| Dipole [step 20] |
-6.087147749202609e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-1.887379141862766e-15 |
PASS |