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.
  ☆87Updated 2 weeks ago
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆105Updated this week
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆130Updated last month
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆97Updated this week
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆77Updated 5 years ago
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆131Updated this week
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆75Updated 2 years ago
• wannier-developers / wannier90
  Official repository of the Wannier90 code
  ☆251Updated this week
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆95Updated this week
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆37Updated last week
• nakib / elphbolt
  A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.
  ☆46Updated this week
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆85Updated last month
• quanshengwu / wannier_tools
  WannierTools: An open-source software package for novel topological materials. Full documentation:
  ☆273Updated last month
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆48Updated 7 years ago
• goodluck1982 / SpaceGroupIrep
  A mathematica package for irreducible representations of space group
  ☆54Updated 8 months ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆203Updated this week
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.
  ☆126Updated 3 weeks ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆56Updated 3 years ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆75Updated last week
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆177Updated this week
• joselado / pyqula
  Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and inclu…
  ☆94Updated last week
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆99Updated 3 years ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆48Updated this week
• computationalmodelling / fidimag
  Finite DIfference microMAGnetic code, based on Python, Cython and C
  ☆61Updated 3 months ago
• brian-dellabetta / nonEquilibriumGreensFunction
  Calculates transport dynamics of a customizable channel and contact configuration in the Non-Equilibrium Green's Function Formalism
  ☆20Updated 10 years ago
• Chengcheng-Xiao / VASP2WAN90_v2_fix
  An updated version of the VASP2WANNIER90v2 interface
  ☆91Updated last year
• dkorotin / exchanges
  Exchange parameters of Heisenberg model calculation via Green's function approach
  ☆34Updated last year
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆50Updated last year
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆93Updated last week
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆31Updated 3 years ago