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8 search results found

Open-source library for analyzing the results produced by ABINIT

Espresso ⭐ 77

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

Pythoncompphys ⭐ 31

Some python workbooks with various topics from Computational Physics

Dft_pib_code ⭐ 26

Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)

Hfsolver ⭐ 16

Hartree Fock solver

Pytopomat ⭐ 15

Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.

APDFT calculates quantumchemical results for many molecules at once.

Abitutorials ⭐ 10

Abinit tutorials based on AbiPy

Aachen_introduction_dftk ⭐ 8

A short lecture introducing plane-wave DFT methods and DFTK

Pseudopotential Studio

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