Alternatives and similar repositories for dftfe:

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

• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆48Updated this week
• spparks / spparks
  SPPARKS Kinetic and Metropolis Monte Carlo simulator
  ☆68Updated 4 months ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆48Updated 2 weeks ago
• electronic-structure / SIRIUS
  Domain specific library for electronic structure calculations
  ☆143Updated last week
• libnegf / libnegf
  ☆19Updated this week
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆100Updated last month
• mushroomfire / mdapy
  A simple and fast python library to handle the data generated from molecular dynamics simulations
  ☆73Updated 3 months ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆132Updated last year
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆88Updated 2 months ago
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆107Updated this week
• theochem / tinydft
  A minimalistic atomic Density Functional Theory (DFT) code
  ☆135Updated this week
• PacktPublishing / Extending-and-Modifying-LAMMPS-Writing-Your-Own-Source-Code
  Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt
  ☆100Updated 2 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated last month
• SPARC-X / SPARC
  Simulation Package for Ab-initio Real-space Calculations
  ☆78Updated last week
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆205Updated this week
• lanl / LATTE
  Developer repository for the LATTE code
  ☆42Updated 3 weeks ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆81Updated 5 years ago
• abinit / abinit
  The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…
  ☆223Updated 2 months ago
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆48Updated 7 years ago
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆163Updated 3 weeks ago
• scafacos / scafacos
  ScaFaCoS library for Fast Coulomb Solvers
  ☆29Updated 2 months ago
• MikeHeiber / KMC_Lattice
  A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …
  ☆20Updated 4 years ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆89Updated this week
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆130Updated 2 weeks ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆85Updated last year
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆112Updated last year
• lammps / pizza
  Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…
  ☆64Updated 3 years ago
• fspiga / qe-gpu
  GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
  ☆62Updated 5 years ago
• ghb24 / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆45Updated last year
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 3 years ago