tightbinder#
Implementation of the Crystal class, responsible of storing all the information relative to the Bravais lattice and the reciprocal lattice, such as high symmetry points, producing the k point mesh or visualizing the crystal itself. |
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Introduction of disorder in a system such as vacancies or impurities. |
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Routines to parse the tight-binding parameters written in the input file. |
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Model declarations, from the Slater-Koster tight-binding model to toy models such as the BHZ model or Wilson fermions. |
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Modifications of the system such as strain or electric field. |
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Module containing routines for computation of observables. |
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The optimize module provides several routines to fit the parameters of a SlaterKoster model to reproduce some given bands, usually from DFT. |
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Definition of Result class to handle diagonalization results from Hamiltonian and observable calculation. |
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Implementation of System class. |
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Topology-related routines. |
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Miscellaneous routines used in the other modules. |