Alternatives and similar repositories for espresso

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

• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆224Updated 5 years ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆84Updated 5 years ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆103Updated 4 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆190Updated last week
• qtm-iisc / Twister
  ☆58Updated 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
  ☆141Updated 6 months ago
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆101Updated 4 months ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆91Updated this week
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆84Updated 3 weeks ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆214Updated last week
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆119Updated 2 years ago
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆107Updated this week
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 4 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated 2 years ago
• irreducible-representations / irrep
  ☆70Updated this week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆136Updated 2 years ago
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆84Updated 3 years ago
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆66Updated 6 years ago
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆100Updated 2 years ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆175Updated 11 months ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆49Updated last week
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆177Updated 2 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 4 months ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆156Updated this week
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆90Updated 3 weeks ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated 2 months ago
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆109Updated 2 weeks ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆168Updated 2 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆132Updated this week