Alternatives and similar repositories for dft-book:

Users that are interested in dft-book are comparing it to the libraries listed below

• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆128Updated 2 years ago
• phonopy / phonopy
  Phonon code
  ☆386Updated 2 weeks ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆228Updated 6 months ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆178Updated 3 weeks ago
• PytLab / VASPy
  Manipulating VASP files with Python.
  ☆279Updated 2 years ago
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆310Updated this week
• hackingmaterials / atomate
  atomate is a powerful software for computational materials science and contains pre-built workflows.
  ☆252Updated 8 months ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆148Updated 8 months ago
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆243Updated 8 months ago
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆206Updated 4 years ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆187Updated 3 years ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆235Updated 3 weeks ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆220Updated 3 weeks ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆159Updated 5 months ago
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆282Updated 3 weeks ago
• i-pi / i-pi
  i-PI: a universal force engine
  ☆254Updated 2 weeks ago
• quanshengwu / wannier_tools
  WannierTools: An open-source software package for novel topological materials. Full documentation:
  ☆278Updated 2 months ago
• materialsproject / mapidoc
  Public repo for Materials API documentation
  ☆140Updated 2 years ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆171Updated 8 years ago
• pierrehirel / atomsk
  Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
  ☆215Updated 2 weeks ago
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆305Updated this week
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆165Updated 3 weeks ago
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆208Updated this week
• mzjb / DeepH-pack
  Deep neural networks for density functional theory Hamiltonian.
  ☆275Updated 6 months ago
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆358Updated 6 months ago
• materialsvirtuallab / pymatgen-analysis-diffusion
  This add-on to pymatgen provides tools for analyzing diffusion in materials.
  ☆112Updated this week
• wolverton-research-group / qmpy
  A suite of computational materials science tools.
  ☆135Updated last year
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆142Updated last week
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆352Updated this week
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆175Updated last week