Input 04-tetragonal.23-spg97.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Space group |
9.700000000000000e+01 |
9.700000000000000e+01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| No. of symmetries |
8.000000000000000e+00 |
8.000000000000000e+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 |
| S7 |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| S8 |
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 |
1.250000000000000e-01 |
1.250000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| kpt 3 |
6.250000000000000e-02 |
6.250000000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| kpt 4 |
1.250000000000000e-01 |
1.250000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| kpt 5 |
2.500000000000000e-01 |
2.500000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| kpt 6 |
6.250000000000000e-02 |
6.250000000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| kpt 7 |
3.120000000000000e-02 |
3.125000000000000e-02 |
1.000000000000000e-04 |
-5.000000000000143e-05 |
PASS |
| kpt 8 |
3.120000000000000e-02 |
3.125000000000000e-02 |
1.000000000000000e-04 |
-5.000000000000143e-05 |
PASS |
| kpt 9 |
6.250000000000000e-02 |
6.250000000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| kpt 10 |
6.250000000000000e-02 |
6.250000000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| kpt 11 |
1.250000000000000e-01 |
1.250000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| kpt 12 |
3.120000000000000e-02 |
3.125000000000000e-02 |
1.000000000000000e-04 |
-5.000000000000143e-05 |
PASS |
| kpt 13 |
1.560000000000000e-02 |
1.563000000000000e-02 |
1.000000000000000e-04 |
-3.000000000000225e-05 |
PASS |