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Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.

Home Page: https://pranabdas.github.io/espresso/

Shell 0.16% HTML 8.19% Jupyter Notebook 49.74% Gnuplot 41.00% Dockerfile 0.02% JavaScript 0.11% CSS 0.12% Roff 0.56% Fortran 0.11%
density-functional-theory dft first-principles-calculations high-performance-computing hpc materials-modelling quantum-espresso tutorial wannier

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