Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894041e-01 |
-5.571938259894033e-01 |
4.100000000000000e-14 |
-8.881784197001252e-16 |
PASS |
| Energy [step 5] |
-5.157327347418720e-01 |
-5.157327347418467e-01 |
4.100000000000000e-14 |
-2.531308496145357e-14 |
PASS |
| Energy [step 10] |
-5.157327347417272e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
-2.930988785010413e-14 |
PASS |
| Energy [step 15] |
-5.157327347416739e-01 |
-5.157327347416570e-01 |
4.100000000000000e-14 |
-1.687538997430238e-14 |
PASS |
| Energy [step 20] |
-5.157327347416961e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
1.776356839400250e-15 |
PASS |
| Dipole [step 1] |
1.547888465352251e-15 |
0.000000000000000e+00 |
4.100000000000000e-14 |
1.547888465352251e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208893e-01 |
-1.928247888208892e-01 |
4.100000000000000e-14 |
-1.110223024625157e-16 |
PASS |
| Dipole [step 10] |
-3.545495747886680e-01 |
-3.545495747886674e-01 |
4.100000000000000e-14 |
-6.106226635438361e-16 |
PASS |
| Dipole [step 15] |
-4.859689858458452e-01 |
-4.859689858458450e-01 |
4.100000000000000e-14 |
-1.665334536937735e-16 |
PASS |
| Dipole [step 20] |
-6.087120870676934e-01 |
-6.087120870676892e-01 |
4.100000000000000e-14 |
-4.218847493575595e-15 |
PASS |