Alternatives and similar repositories for abipy

Users that are interested in abipy are comparing it to the libraries listed below

• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆98Updated 3 weeks ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆154Updated last week
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆182Updated 3 weeks ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆196Updated last month
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆177Updated last month
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆123Updated 2 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆147Updated 9 months ago
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆144Updated last week
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆76Updated last year
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆157Updated 2 weeks ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆97Updated 3 weeks ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆217Updated 2 weeks ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆92Updated 3 weeks ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆141Updated 2 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 7 months ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆106Updated 4 years ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆55Updated 2 weeks ago
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆60Updated last week
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆68Updated 11 months ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆89Updated 2 years ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆59Updated last week
• aiidateam / aiida-quantumespresso
  The official AiiDA plugin for Quantum ESPRESSO
  ☆72Updated last month
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆82Updated 7 months ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆135Updated 2 months ago
• usnistgov / atomman
  Atomistic Manipulation Toolkit
  ☆94Updated 4 months ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆88Updated last week
• materialsproject / pymatgen-db
  Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…
  ☆51Updated 3 weeks ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• gVallverdu / bandstructureplots
  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
  ☆46Updated 7 years ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year