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
  ☆226Updated 5 years ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆89Updated 5 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆190Updated this week
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆103Updated 4 months ago
• qtm-iisc / Twister
  ☆58Updated 2 years ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆93Updated this week
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆103Updated 4 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆142Updated 6 months ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆175Updated 11 months ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆156Updated 2 weeks ago
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆120Updated 3 years ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆216Updated 2 weeks ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆180Updated last week
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 5 months ago
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆66Updated 6 years ago
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆88Updated 3 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆44Updated 2 years ago
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆108Updated this week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆134Updated 3 years ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆85Updated last week
• irreducible-representations / irrep
  ☆71Updated this week
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆133Updated 3 weeks ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated last week
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆50Updated 2 weeks ago
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆108Updated last week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆137Updated 2 years ago
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆101Updated 2 years ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆169Updated 2 months ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year