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  1. paper-forces-estimator paper-forces-estimator Public

    Practical error bounds for properties in planewave DFT calculations

    Julia 1

  2. DFTK.jl DFTK.jl Public

    Forked from JuliaMolSim/DFTK.jl

    Density-functional toolkit

    Julia

  3. qp2-plugins qp2-plugins Public

    Some of my plugins for postprocessing results from Quantum Package 2.

    Julia

  4. 1D_basis_optimization 1D_basis_optimization Public

    1D basis optimization

    Julia

  5. response-calculations-metals response-calculations-metals Public

    Julia

  6. analytic_potentials analytic_potentials Public

    Julia