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solid-state

Here are 4 public repositories matching this topic...

zerothi / sisl

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

gulp dft geometry physics vasp density-functional-theory tight-binding graphene solid-state-physics condensed-matter negf siesta wannier90 solid-state transiesta tbtrans bigdft

Updated Jan 27, 2025
Python

bobleesj / cifkit

High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/

crystallography high-throughput solid-state site-analysis coordination-number

Updated Jan 24, 2025
Python

Quantum-Dynamics-Hub / pyxaid2

materials dynamics quantum photovoltaic solid-state excited-states nonadiabatic

Updated Jan 29, 2018
Python

tjz21 / Castep_Tools

Scripts for processing CASTEP output files.

materials dft density-functional-theory solid-state castep geometry-optimization

Updated Oct 30, 2024
Python

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