Alternatives and similar repositories for ase-espresso

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

• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆19Updated 5 years ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆67Updated 5 months ago
• Quantum-Dynamics-Hub / libra-code
  ☆52Updated this week
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆69Updated last month
• gVallverdu / bandstructureplots
  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
  ☆46Updated 7 years ago
• aoterodelaroza / critic2
  Analysis of quantum chemical interactions in molecules and solids.
  ☆109Updated this week
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated 2 weeks ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆137Updated 3 months ago
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆82Updated 2 years ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 3 years ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆100Updated 4 years ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated last year
• aiidateam / qe-tools
  A set of useful tools for Quantum ESPRESSO
  ☆33Updated last month
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆39Updated 4 months ago
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆30Updated 3 years ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆58Updated 3 years ago
• aromanro / HartreeFock
  A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…
  ☆62Updated 11 months ago
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆91Updated last month
• prisms-center / CASMcode
  First-principles statistical mechanical software for the study of multi-component crystalline solids
  ☆113Updated last year
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆101Updated 11 months ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆90Updated 2 months ago
• biklooost / PROPhet
  PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
  ☆65Updated 7 years ago
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆68Updated this week
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆49Updated 7 years ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆80Updated this week
• tomkeus / vasp_unfold
  ☆29Updated last year
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆121Updated this week
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆36Updated last year
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆35Updated 9 years ago