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Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
Updated
May 5, 2025
Python
a python package for computing magnetic interaction parameters
Updated
May 9, 2025
Python
Implementation of a machine learned density functional
Updated
Jun 17, 2024
Python
Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT
Updated
Jul 29, 2024
Python
Molecular dynamics package designed for the SIESTA DFT code.
Updated
Apr 9, 2025
Python
Tutorials for the SOMD code.
Updated
Jul 27, 2023
Python
Python bindings for "Siesta as a subroutine" DFT
Updated
Dec 30, 2024
Python
Siesta, transiesta, tbtrans...... without touching the terminal
Updated
Mar 28, 2025
Python
SIESTAstepper runs SIESTA step by step, designed for constrained calculations.
Updated
May 1, 2025
Python
Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.
Updated
May 8, 2025
Python
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