|
25 | 25 | "task_options": {
|
26 | 26 | "task": "band",
|
27 | 27 | "kline_type":"abacus",
|
28 |
| - "kpath":[[0.0000000000, 0.0000000000, 0.0000000000, 20], |
29 |
| - [0.5000000000, 0.0000000000, 0.0000000000, 1], |
30 |
| - [0.0000000000, 0.5000000000, 0.0000000000, 20], |
31 |
| - [0.0000000000, 0.0000000000, 0.0000000000, 20], |
32 |
| - [0.0000000000, 0.0000000000, 0.5000000000, 1], |
33 |
| - [-0.5000000000, -0.5000000000, 0.5000000000, 20], |
34 |
| - [0.0000000000, 0.0000000000, 0.0000000000, 20], |
35 |
| - [0.0000000000, -0.5000000000, 0.5000000000, 1 ], |
36 |
| - [-0.5000000000, 0.0000000000, 0.5000000000, 20], |
37 |
| - [0.0000000000, 0.0000000000, 0.0000000000, 20], |
38 |
| - [0.5000000000, -0.5000000000, 0.0000000000, 1] |
| 28 | + "kpath":[[0.0000000000, 0.0000000000, 0.0000000000, 2], |
| 29 | + [0.5000000000, 0.0000000000, 0.0000000000, 1], |
39 | 30 | ],
|
40 | 31 | "klabels":["G","X","Y","G","Z","R_2","G","T_2","U_2","G","V_2"],
|
41 | 32 | "nel_atom":{"Si":4},
|
|
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