c-niu / poscar2pdfLinks
Calculates the pair distribution function (PDF) of a POSCAR file.
☆12Updated 9 years ago
Alternatives and similar repositories for poscar2pdf
Users that are interested in poscar2pdf are comparing it to the libraries listed below
Sorting:
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 3 weeks ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆14Updated 3 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- cif2cell compatible with Python 3+☆12Updated 2 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- Calculate 3rd order elastic constant.☆13Updated 5 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆14Updated 5 years ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆18Updated 6 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 7 months ago
- Visualizations☆14Updated 3 years ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 3 months 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
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- ☆19Updated 8 months ago
- DensityTool post-processing program for VASP☆31Updated last year
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 9 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Updated 4 years ago