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Tetrahedron method in transport #83

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cepellotti opened this issue Nov 10, 2020 · 0 comments
Open

Tetrahedron method in transport #83

cepellotti opened this issue Nov 10, 2020 · 0 comments

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@cepellotti
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The tetrahedron method requires the knowledge of energies at more k/q points than those that are available from the ActiveBandStructure class. This is because it requires the knowledge of the bandstructure at all vertices of the tetrahedron to integrate the dirac-delta. As a result, the tetrahedron method now can only work if all k-points and bands are known (i.e. a FullBandStructure is used, and all energies are stored by each MPI process). We should decide and implement a strategy to use the tetrahedron in conjunction with an ActiveBandStructure

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