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
  ☆90Updated 5 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆144Updated 7 months ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆105Updated 4 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆190Updated this week
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆216Updated 2 weeks ago
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆104Updated 5 months ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆182Updated this week
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆110Updated last week
• qtm-iisc / Twister
  ☆59Updated 2 years ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆95Updated this week
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆139Updated 2 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…
  ☆120Updated 3 years ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆87Updated this week
• QijingZheng / pyband
  band plot using python matplotlib
  ☆178Updated last year
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆103Updated 2 years ago
• irreducible-representations / irrep
  ☆71Updated 3 weeks ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆157Updated 2 weeks ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆44Updated 2 years ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆252Updated 6 months ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆115Updated last year
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆89Updated 3 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 6 months ago
• quanshengwu / wannier_tools
  WannierTools: An open-source software package for novel topological materials. Full documentation:
  ☆303Updated 5 months ago
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆110Updated 3 weeks ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆134Updated 3 years ago
• stcarr / kp_tblg
  A relaxed kp model of twisted bilayer graphene
  ☆48Updated 2 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆133Updated last month
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆66Updated 6 years ago