Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867387214e-01 |
-5.571785867386825e-01 |
6.260000000000001e-14 |
-3.896882816434299e-14 |
PASS |
| Energy [step 5] |
-5.157175387707390e-01 |
-5.157175387707220e-01 |
5.360000000000000e-14 |
-1.698641227676490e-14 |
PASS |
| Energy [step 10] |
-5.157175387706102e-01 |
-5.157175387705686e-01 |
4.190000000000000e-14 |
-4.163336342344337e-14 |
PASS |
| Energy [step 15] |
-5.157175387705454e-01 |
-5.157175387705311e-01 |
4.380000000000000e-14 |
-1.432187701766452e-14 |
PASS |
| Energy [step 20] |
-5.157175387705782e-01 |
-5.157175387705559e-01 |
4.870000000000000e-14 |
-2.231548279496565e-14 |
PASS |
| Dipole [step 1] |
2.684213142283963e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
3.422135149108478e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315470e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
3.053113317719180e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499284e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
1.554312234475219e-15 |
PASS |
| Dipole [step 15] |
-4.859711921536394e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
6.106226635438361e-16 |
PASS |
| Dipole [step 20] |
-6.087147749202592e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-1.110223024625157e-16 |
PASS |