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electronic-structure x

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Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and transport modeling based on the non-equilibrium Green's function (NEGF) method. The code can deal with both finite and periodic system translated in one, two or three dimensions.

Libxc.jl ⭐ 22

Julia bindings to the libxc library for exchange-correlation functionals

A massively parallel library for computing the functions of sparse matrices.

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