Input 05-hexagonal.13-spg155.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_debug_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Space group | 1.550000000000000e+02 | 1.550000000000000e+02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| No. of symmetries | 6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| S1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| S2 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| S3 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| S4 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| S5 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| S6 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total k-points | 6.400000000000000e+01 | 6.400000000000000e+01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Reduced k-points | 1.300000000000000e+01 | 1.300000000000000e+01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| kpt 1 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |
| kpt 2 | 9.379999999999999e-02 | 9.375000000000000e-02 | 1.000000000000000e-04 | 4.999999999999449e-05 | PASS |
| kpt 3 | 4.690000000000000e-02 | 4.688000000000000e-02 | 1.000000000000000e-04 | 1.999999999999919e-05 | PASS |
| kpt 4 | 9.379999999999999e-02 | 9.375000000000000e-02 | 1.000000000000000e-04 | 4.999999999999449e-05 | PASS |
| kpt 5 | 1.875000000000000e-01 | 1.875000000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| kpt 6 | 9.379999999999999e-02 | 9.375000000000000e-02 | 1.000000000000000e-04 | 4.999999999999449e-05 | PASS |
| kpt 7 | 4.690000000000000e-02 | 4.688000000000000e-02 | 1.000000000000000e-04 | 1.999999999999919e-05 | PASS |
| kpt 8 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 9 | 9.379999999999999e-02 | 9.375000000000000e-02 | 1.000000000000000e-04 | 4.999999999999449e-05 | PASS |
| kpt 10 | 9.379999999999999e-02 | 9.375000000000000e-02 | 1.000000000000000e-04 | 4.999999999999449e-05 | PASS |
| kpt 11 | 9.379999999999999e-02 | 9.375000000000000e-02 | 1.000000000000000e-04 | 4.999999999999449e-05 | PASS |
| kpt 12 | 9.379999999999999e-02 | 9.375000000000000e-02 | 1.000000000000000e-04 | 4.999999999999449e-05 | PASS |
| kpt 13 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |