Input 15-bandstructure.04-wannier90_output.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
w90.eig 1 | -7.818338336000000e+00 | -7.818440000000000e+00 | 3.910000000000000e-04 | 1.016639999997793e-04 | PASS |
w90.eig 2 | 4.207471758000000e+00 | 4.207470000000000e+00 | 2.100000000000000e-04 | 1.757999999796311e-06 | PASS |
w90.eig 3 | 4.207471758000000e+00 | 4.207470000000000e+00 | 2.100000000000000e-04 | 1.757999999796311e-06 | PASS |
w90.amn 4-5 kpt64 | 3.440110000000000e-14 | 3.943459999999999e-13 | 2.640000000000000e-13 | -3.599448999999999e-13 | FAIL |
w90.amn 4-6 kpt64 | 4.560880000000000e-01 | 4.562200000000000e-01 | 1.320000000000000e-03 | -1.320000000000210e-04 | PASS |
w90.amn 4-7 kpt64 | 3.985240000000000e-05 | 1.456217000000000e-03 | 1.390000000000000e-03 | -1.416364600000000e-03 | FAIL |
w90.amn 4-8 kpt64 | 4.560480000000000e-01 | 4.559070000000000e-01 | 1.330000000000000e-03 | 1.410000000000022e-04 | PASS |
w90.mmn 4-1 kpt64 | 1.222670000000000e-12 | 2.228220000000000e-12 | 1.260000000000000e-12 | -1.005550000000000e-12 | PASS |
w90.mmn 4-2 kpt64 | 3.567580000000000e-13 | 7.541320000000000e-13 | 5.010000000000000e-13 | -3.973740000000000e-13 | PASS |
w90.mmn 4-3 kpt64 | 3.883180000000000e-04 | 2.219790000000000e-02 | 6.400000000000000e-02 | -2.180958200000000e-02 | PASS |
w90.mmn 4-4 kpt64 | 9.755800000000000e-01 | 9.751480000000000e-01 | 3.500000000000000e-03 | 4.319999999999879e-04 | PASS |