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A simple and lightweight code for solving a DFT Hartree-Fock model using a self-consistent field iteration.

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modelscf

A simple and lightweight code for solving the Kohn-Sham equations using a self-consistent field iteration.

This is a simple code using plane wave basis for quick one-dimensional prototyping of methods for solving the Kohn-Sham equations. For simplicity all the constants are adimentionalized.

It only requires Julia 1.0 to run. (this will be updated to handle newer versions)

Please see the examples and the notebooks for further details.

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A simple and lightweight code for solving a DFT Hartree-Fock model using a self-consistent field iteration.

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  • Jupyter Notebook 90.9%
  • Julia 9.1%