Alternatives and similar repositories for jdftx:

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

• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆53Updated 2 weeks ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆46Updated this week
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated last year
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆163Updated last week
• vasp-dev / py4vasp
  Python interface for VASP
  ☆81Updated this week
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆50Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆121Updated 4 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆85Updated 6 months ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆86Updated last year
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆43Updated 5 months ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆41Updated last year
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆102Updated 9 months ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆78Updated 5 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆120Updated this week
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆75Updated 2 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆93Updated last week
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆91Updated last year
• oekosheri / GB_code
  A grain boundary generation code
  ☆63Updated last year
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆130Updated last month
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆105Updated 4 years ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated 7 months ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆99Updated 3 years ago
• cndaqiang / DFT-EXERCISES
  DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…
  ☆57Updated 3 years ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆45Updated 5 years ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆153Updated last year
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆87Updated this week
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆73Updated this week
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆48Updated 7 years ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated 3 weeks ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆100Updated 7 months ago