Search Packages

masci-tools

Post-processing toolkit for electronic structure calculations

aiida-kkr

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

pybinding

Scientific Python package for tight-binding calculations in solid state physics

aiida-fleur

AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workchains and utilities

blaze2d

A Rust-based 2D PWE Maxwell solver architected specifically for massive parameter sweeps. It significantly outperforms MIT's MPB while achieving a similar accuracy.

nano-net

Python framework for tight-binding computations

pysktb

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

elphem

Elphem: Calculating electron-phonon interactions with the empty lattice.

qeview

Tool to help you analyze and visualize the results from Quantum Espresso (Band structure BS, DOS, pDOS) and Wannier90

fuller

Integrated computational framework for electronic band structure reconstruction and parametrization

tightbinder

General purpose Slater-Koster tight-binding library for electronic structure calculations

pesfit

Distributed multicomponent lineshape fitting routines and benchmarks for multidimensional spectroscopy and spectral imaging

mcu

Modeling and Crystallographic Utilities