Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894397e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-3.641531520770513e-14 |
PASS |
| Energy [step 5] |
-5.157327347418542e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-7.549516567451064e-15 |
PASS |
| Energy [step 10] |
-5.157327347417165e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-1.865174681370263e-14 |
PASS |
| Energy [step 15] |
-5.157327347416695e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-1.243449787580175e-14 |
PASS |
| Energy [step 20] |
-5.157327347416952e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
2.664535259100376e-15 |
PASS |
| Dipole [step 1] |
6.887278223319075e-16 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
1.426649829156423e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208893e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-1.110223024625157e-16 |
PASS |
| Dipole [step 10] |
-3.545495747886649e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
2.442490654175344e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458476e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-2.553512956637860e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676900e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-7.771561172376096e-16 |
PASS |