Alternatives and similar repositories for q-e_old

Users that are interested in q-e_old are comparing it to the libraries listed below

• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆84Updated 3 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆126Updated this week
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆92Updated 3 months ago
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆118Updated 3 weeks ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆67Updated 7 months ago
• vossjo / ase-espresso
  ase interface for Quantum Espresso
  ☆68Updated 5 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated 2 months ago
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆51Updated 3 months ago
• Atomistica / atomistica
  Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
  ☆88Updated 3 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…
  ☆50Updated this week
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆23Updated 7 months ago
• aoterodelaroza / critic2
  Analysis of quantum chemical interactions in molecules and solids.
  ☆110Updated 2 weeks ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated last year
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆71Updated 2 months ago
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆115Updated last month
• TREX-CoE / trexio
  TREX I/O library
  ☆60Updated last week
• mcodev31 / libmsym
  molecular point group symmetry lib
  ☆88Updated last year
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆31Updated 3 years ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆145Updated this week
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆99Updated 7 months ago
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆68Updated last month
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 4 months ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆102Updated last year
• evangelistalab / forte
  ☆59Updated 2 months ago
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆53Updated 3 weeks ago
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆40Updated 6 months ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆83Updated 5 years ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated this week
• jabl / vasputil
  Command-line utilities and Python libraries designed to make life with VASP easier
  ☆56Updated 6 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆141Updated 5 months ago