Alternatives and similar repositories for pslibrary

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

• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆87Updated 5 years ago
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆103Updated 4 months ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆142Updated 6 months ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated last week
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆85Updated this week
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆103Updated 4 years ago
• irreducible-representations / irrep
  ☆71Updated last week
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆66Updated 6 years ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆34Updated 2 years ago
• vasp-dev / py4vasp
  Python interface for VASP
  ☆87Updated this week
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆103Updated last year
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆190Updated this week
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 5 months ago
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆180Updated last week
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆108Updated last week
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated this week
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆110Updated 5 years ago
• DMFTwDFT-project / DMFTwDFT
  DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
  ☆59Updated 3 years ago
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆97Updated 3 weeks ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆44Updated 2 years ago
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆50Updated last week
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆59Updated this week
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 2 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆90Updated last month
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆50Updated 6 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• yuzie007 / upho
  Band unfolding for phonons
  ☆57Updated last year
• JMSkelton / VASP-Examples
  A collection of examples for running different types of VASP calculations.
  ☆31Updated 8 years ago
• aoterodelaroza / critic2
  Analysis of quantum chemical interactions in molecules and solids.
  ☆112Updated last week
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆71Updated 5 months ago