Input 04-tetragonal.21-spg95.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Space group | 9.500000000000000e+01 | 9.500000000000000e+01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| No. of symmetries | 2.000000000000000e+00 | 2.000000000000000e+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 |
| Total k-points | 6.400000000000000e+01 | 6.400000000000000e+01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Reduced k-points | 3.000000000000000e+01 | 3.000000000000000e+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 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 3 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |
| kpt 4 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 5 | 6.250000000000000e-02 | 6.250000000000000e-02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| kpt 6 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 7 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |
| kpt 8 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 9 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |
| kpt 10 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 11 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 12 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 13 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 14 | 6.250000000000000e-02 | 6.250000000000000e-02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| kpt 15 | 6.250000000000000e-02 | 6.250000000000000e-02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| kpt 16 | 6.250000000000000e-02 | 6.250000000000000e-02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| kpt 17 | 6.250000000000000e-02 | 6.250000000000000e-02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| kpt 18 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 19 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 20 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 21 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 22 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |
| kpt 23 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 24 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |
| kpt 25 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 26 | 6.250000000000000e-02 | 6.250000000000000e-02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| kpt 27 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 28 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |
| kpt 29 | 3.120000000000000e-02 | 3.125000000000000e-02 | 1.000000000000000e-04 | -5.000000000000143e-05 | PASS |
| kpt 30 | 1.560000000000000e-02 | 1.563000000000000e-02 | 1.000000000000000e-04 | -3.000000000000225e-05 | PASS |