Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893793e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 2.398081733190338e-14 | PASS |
| Energy [step 5] | -5.157327347418427e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 3.996802888650564e-15 | PASS |
| Energy [step 10] | -5.157327347416952e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 2.664535259100376e-15 | PASS |
| Energy [step 15] | -5.157327347416517e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | 5.329070518200751e-15 | PASS |
| Energy [step 20] | -5.157327347416908e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 7.105427357601002e-15 | PASS |
| Dipole [step 1] | -1.259467688832522e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -5.215456820080074e-16 | PASS |
| Dipole [step 5] | -1.928247888208901e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -8.881784197001252e-16 | PASS |
| Dipole [step 10] | -3.545495747886689e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -1.554312234475219e-15 | PASS |
| Dipole [step 15] | -4.859689858458491e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -4.107825191113079e-15 | PASS |
| Dipole [step 20] | -6.087120870676935e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -4.329869796038111e-15 | PASS |