Alternatives and similar repositories for jdftx

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

• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆80Updated 2 weeks ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆53Updated this week
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆169Updated this week
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆136Updated 2 months ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆48Updated 7 months ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆90Updated last month
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆80Updated 2 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆82Updated this week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆181Updated last week
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆121Updated this week
• vasp-dev / py4vasp
  Python interface for VASP
  ☆83Updated this week
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆127Updated 6 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆106Updated last year
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆79Updated this week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆147Updated this week
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆49Updated 5 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated 2 months ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆161Updated last month
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 9 months ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆100Updated 10 months ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆100Updated 4 years ago
• aoterodelaroza / critic2
  Analysis of quantum chemical interactions in molecules and solids.
  ☆108Updated this week
• oekosheri / GB_code
  A grain boundary generation code
  ☆67Updated last year
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆81Updated 5 years ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆61Updated 6 months ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆137Updated this week
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆62Updated last year
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆93Updated 3 weeks ago