brucefan1983 / VASP-post-processingLinks
Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.
☆12Updated 4 years ago
Alternatives and similar repositories for VASP-post-processing
Users that are interested in VASP-post-processing are comparing it to the libraries listed below
Sorting:
- Interfacial Phonon code☆28Updated 3 years ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 6 months ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated 4 months ago
- GPUMD and LAMMPS helper functions for thermal computations☆10Updated 3 years ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Updated 7 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated last week
- Python program for analyzing the output files of phonopy.☆14Updated 3 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 6 months ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 weeks ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆29Updated 11 months ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 3 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 9 months ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Updated 2 weeks ago
- Tools for Phono(3)py power users.☆34Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Calculate 3rd order elastic constant.☆13Updated 4 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆23Updated 2 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 9 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated last week
- Projected Electronic Bands in Quantum Espresso☆14Updated last month
- Interfacial heat conductance☆12Updated 11 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- 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
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆37Updated last week