Alternatives and similar repositories for espresso:

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

• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆75Updated 5 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆78Updated last year
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆203Updated 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
  ☆127Updated last month
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆91Updated this week
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆90Updated last year
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆59Updated 3 months ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆104Updated 4 years ago
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆110Updated 2 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆119Updated 3 months ago
• qtm-iisc / Twister
  ☆47Updated last year
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆101Updated 9 months ago
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆96Updated this week
• QijingZheng / pyband
  band plot using python matplotlib
  ☆158Updated 3 months ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆84Updated 5 months ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆87Updated this week
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆131Updated last week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆177Updated 3 weeks ago
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆160Updated this week
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆75Updated 2 years ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆74Updated 2 weeks ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆99Updated 3 years ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆137Updated this week
• irreducible-representations / irrep
  ☆63Updated 2 weeks ago
• wannier-developers / wannier-tutorials
  A repository hosting materials used during Wannier-related tutorials and schools
  ☆40Updated 8 months ago
• oekosheri / GB_code
  A grain boundary generation code
  ☆62Updated last year
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆42Updated 4 months ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆169Updated 8 years ago
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆62Updated 5 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆41Updated last year