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Motivation:
- Ab-initio methods are widely used
- Spaghetti band structures for large supercell has little physical insights.
Approach:
- k-space representation of the wave functions.
- Brillioun Zone unfolding
Results:
- Unfolded band structures
- Similar to bulk bands, but with broken lines.
Impact:
- Transform the spaghetti-Ek into band structure with physical insights.
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