Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259893748e-01 | -5.571938259894033e-01 | 4.010000000000000e-14 | 2.842170943040401e-14 | PASS |
| Energy [step 5] | -5.157327347418365e-01 | -5.157327347418467e-01 | 2.780000000000000e-14 | 1.021405182655144e-14 | PASS |
| Energy [step 10] | -5.157327347416819e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | 1.598721155460225e-14 | PASS |
| Energy [step 15] | -5.157327347416553e-01 | -5.157327347416570e-01 | 1.950000000000000e-14 | 1.776356839400250e-15 | PASS |
| Energy [step 20] | -5.157327347416801e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.776356839400250e-14 | PASS |
| Dipole [step 1] | -2.724231972818514e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -1.986309965993999e-15 | PASS |
| Dipole [step 5] | -1.928247888208914e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -2.248201624865942e-15 | PASS |
| Dipole [step 10] | -3.545495747886693e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -1.942890293094024e-15 | PASS |
| Dipole [step 15] | -4.859689858458457e-01 | -4.859689858458450e-01 | 2.430000000000000e-14 | -7.216449660063518e-16 | PASS |
| Dipole [step 20] | -6.087120870676911e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -1.887379141862766e-15 | PASS |