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example:electronic_structure_analysis [2009/11/07 10:23] jelen |
example:electronic_structure_analysis [2009/11/07 10:32] jelen |
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- | ------ the energy eigenvalues ---- | + | --- the energy eigenvalues --- |
-20.77644 -20.17576 -19.32420 -18.49408 | -20.77644 -20.17576 -19.32420 -18.49408 | ||
-18.49262 -17.56440 -17.48782 -16.37893 | -18.49262 -17.56440 -17.48782 -16.37893 | ||
Line 61: | Line 61: | ||
- | ... | + | ... |
- | Band n = 24 k-points: ioccupy = 1 | + | Band n = 24 k-points: ioccupy = 1 |
- | Band n = 25 k-points: ioccupy = 1 | + | Band n = 25 k-points: ioccupy = 1 |
- | Band n = 26 k-points: ioccupy = 1 | + | Band n = 26 k-points: ioccupy = 1 |
- | Band n = 27 k-points: ioccupy = 1 | + | Band n = 27 k-points: ioccupy = 1 |
- | Band n = 28 k-points: ioccupy = 1 | + | Band n = 28 k-points: ioccupy = 1 |
- | Band n = 29 k-points: ioccupy = 1 | + | Band n = 29 k-points: ioccupy = 1 |
- | Band n = 30 k-points: ioccupy = 1 | + | Band n = 30 k-points: ioccupy = 1 |
- | Band n = 31 k-points: ioccupy = 1 | + | Band n = 31 k-points: ioccupy = 1 |
- | Band n = 32 k-points: ioccupy = 1 | + | Band n = 32 k-points: ioccupy = 1 |
- | Band n = 33 k-points: ioccupy = 1 | + | Band n = 33 k-points: ioccupy = 1 |
- | Band n = 34 k-points: ioccupy = 1 | + | Band n = 34 k-points: ioccupy = 1 |
- | Band n = 35 k-points: ioccupy = 1 | + | Band n = 35 k-points: ioccupy = 1 |
- | Band n = 36 k-points: ioccupy = 1 | + | Band n = 36 k-points: ioccupy = 1 |
- | Band n = 37 k-points: ioccupy = 0 | + | Band n = 37 k-points: ioccupy = 0 |
- | Band n = 38 k-points: ioccupy = 0 | + | Band n = 38 k-points: ioccupy = 0 |
- | Band n = 39 k-points: ioccupy = 0 | + | Band n = 39 k-points: ioccupy = 0 |
- | Band n = 40 k-points: ioccupy = 0 | + | Band n = 40 k-points: ioccupy = 0 |
- | Band n = 41 k-points: ioccupy = 0 | + | Band n = 41 k-points: ioccupy = 0 |
- | Band n = 42 k-points: ioccupy = 0 | + | Band n = 42 k-points: ioccupy = 0 |
- | Band n = 43 k-points: ioccupy = 0 | + | Band n = 43 k-points: ioccupy = 0 |
- | ... | + | ... |