Official repository of the Wannier90 code
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May 23, 2024 - Roff
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wannier
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Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.
tutorial
dft
hpc
density-functional-theory
high-performance-computing
quantum-espresso
materials-modelling
first-principles-calculations
wannier
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Apr 26, 2024 - Jupyter Notebook
Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
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Mar 7, 2024 - Jupyter Notebook
Building tight-binding model for generic twisted graphene
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Aug 30, 2021 - Python
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Jul 22, 2021
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