Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893668e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
3.641531520770513e-14 |
PASS |
| Energy [step 5] |
-5.157327347418471e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-4.440892098500626e-16 |
PASS |
| Energy [step 10] |
-5.157327347416988e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-8.881784197001252e-16 |
PASS |
| Energy [step 15] |
-5.157327347416713e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-1.421085471520200e-14 |
PASS |
| Energy [step 20] |
-5.157327347417014e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
-3.552713678800501e-15 |
PASS |
| Dipole [step 1] |
-6.631243405948172e-17 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
6.716095727650334e-16 |
PASS |
| Dipole [step 5] |
-1.928247888208895e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-3.053113317719180e-16 |
PASS |
| Dipole [step 10] |
-3.545495747886677e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-2.775557561562891e-16 |
PASS |
| Dipole [step 15] |
-4.859689858458446e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
3.885780586188048e-16 |
PASS |
| Dipole [step 20] |
-6.087120870676919e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-2.664535259100376e-15 |
PASS |