Alternatives and similar repositories for pydefect_2d:

Users that are interested in pydefect_2d are comparing it to the libraries listed below

• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆57Updated last month
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆33Updated 2 years ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆25Updated 11 months ago
• ShuangLeung / STM_2DScan
  STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…
  ☆13Updated 5 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• kumagai-group / vise
  VASP Integrated Supporting Environment
  ☆23Updated last month
• gabkrenzer / vaspMD
  A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…
  ☆21Updated last year
• K4ys4r / BoltzTraP_Tools
  BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA
  ☆19Updated 4 years ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆51Updated last month
• romankempt / hetbuilder
  Builds 2D heterostructures via coincidence lattice theory.
  ☆14Updated last year
• bzkarimi / VASP
  Practical guide on how to use VASP
  ☆19Updated 4 years ago
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated 11 months ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆40Updated 2 months ago
• mogroupumd / interface_stability
  ☆15Updated 5 years ago
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆19Updated 2 weeks ago
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆28Updated 5 months ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆22Updated last year
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated last month
• mbkumar / pycdt
  ☆50Updated 2 years ago
• ZhongweiZhangsite / WPPT
  Wavelike and Particlelike Phonon Transport (WPPT) Solver
  ☆26Updated 4 months ago
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆28Updated 3 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆50Updated this week
• aradi / SCPC-Method
  ☆25Updated 3 months ago
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆27Updated last year
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 10 months ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆23Updated 4 years ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆54Updated last year
• VASPsol / VASPsol
  ☆47Updated last year