Alternatives and similar repositories for vampire

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

• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆90Updated last month
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆105Updated last week
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆112Updated this week
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆100Updated this week
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆51Updated last week
• quanshengwu / wannier_tools
  WannierTools: An open-source software package for novel topological materials. Full documentation:
  ☆288Updated 2 weeks ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆82Updated 5 years ago
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆135Updated 2 weeks ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆57Updated 3 years ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆138Updated 2 months ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆80Updated this week
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆90Updated 3 weeks ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆138Updated last week
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆49Updated 7 years ago
• asche1 / PyCrystalField
  Code to calculate the crystal field Hamiltonian of magnetic ions.
  ☆61Updated 3 weeks ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆183Updated this week
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆100Updated 4 years ago
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆39Updated 3 months ago
• santoshkumarradha / pysktb
  Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
  ☆52Updated last year
• qtm-iisc / Twister
  ☆53Updated last year
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆93Updated 3 weeks ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆150Updated this week
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆48Updated 8 months ago
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆50Updated 2 years ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆171Updated 2 weeks ago
• richard-evans / vampire-workshop
  Resources and files for the advanced vampire workshop
  ☆17Updated last year
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆31Updated 3 years ago
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆93Updated last year
• Z2PackDev / Z2Pack
  A tool for calculating topological invariants.
  ☆92Updated 4 months ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆106Updated 4 years ago