Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894068e-01 |
-5.571938259894010e-01 |
2.390000000000000e-14 |
-5.773159728050814e-15 |
PASS |
| Energy [step 5] |
-5.157327347418622e-01 |
-5.157327347418511e-01 |
2.490000000000000e-14 |
-1.110223024625157e-14 |
PASS |
| Energy [step 10] |
-5.157327347416970e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
8.881784197001252e-16 |
PASS |
| Energy [step 15] |
-5.157327347416659e-01 |
-5.157327347416708e-01 |
2.780000000000000e-14 |
4.884981308350689e-15 |
PASS |
| Energy [step 20] |
-5.157327347417103e-01 |
-5.157327347416979e-01 |
2.250000000000000e-14 |
-1.243449787580175e-14 |
PASS |
| Dipole [step 1] |
-9.213724143993136e-16 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-1.834504075747985e-16 |
PASS |
| Dipole [step 5] |
-1.928247888208906e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-1.415534356397075e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886699e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-2.553512956637860e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458461e-01 |
-4.859689858458459e-01 |
4.950000000000000e-15 |
-2.220446049250313e-16 |
PASS |
| Dipole [step 20] |
-6.087120870676955e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-6.328271240363392e-15 |
PASS |