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band_structure [2009/11/25 21:14] jelen |
band_structure [2014/10/20 12:42] |
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- | ===== The band structure ===== | ||
- | to calculate the band structure for given lattice parameter we need to achieve SCF solution. | ||
- | Therefore we run a standard bulk calculation as in previous chapter [[bulk optimization|chapter]] | ||
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- | ===== DOS ===== |