Alternatives and similar repositories for pyprocar

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

• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆172Updated last week
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆152Updated last week
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆165Updated last month
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆225Updated 2 months ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆208Updated last week
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆129Updated 8 months ago
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆107Updated 4 years 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
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆140Updated this week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆131Updated 3 years ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆172Updated 8 years ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆237Updated 2 months ago
• QijingZheng / pyband
  band plot using python matplotlib
  ☆165Updated 8 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆80Updated last month
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆94Updated last month
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆116Updated 2 years ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆100Updated 4 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆107Updated 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
• irreducible-representations / irrep
  ☆67Updated this week
• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆137Updated 2 weeks ago
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆82Updated 5 years ago
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆194Updated this week
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆80Updated last week
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆121Updated last week
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated last week
• quantumNerd / Quantum-Espresso-Tutorial-2019-Projects
  ☆218Updated 4 years ago
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• vasp-dev / py4vasp
  Python interface for VASP
  ☆85Updated 2 weeks ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆154Updated 11 months ago