Asif-Iqbal-Bhatti / Script-to-extract-various-properties-from-VASP-OUTCAR-file
Scripts to extract various properties from VASP OUTCAR file
☆11Updated last year
Alternatives and similar repositories for Script-to-extract-various-properties-from-VASP-OUTCAR-file:
Users that are interested in Script-to-extract-various-properties-from-VASP-OUTCAR-file are comparing it to the libraries listed below
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆19Updated 2 years ago
- 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
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆13Updated last month
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆15Updated 2 months ago
- Calculate 3rd order elastic constant.☆13Updated last week
- ☆25Updated 3 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- A general parser for VASP☆13Updated last week
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆16Updated 2 years ago
- Quick tools for materials chemistry☆16Updated 10 months ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆18Updated 2 months ago
- Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop☆13Updated last year
- Interfacial Phonon code☆26Updated 2 years ago
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Updated 4 years ago
- DFT post processing tools☆23Updated 8 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆25Updated 5 years ago
- ☆18Updated 3 months ago
- TDEP Tutorials☆26Updated 3 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- ☆20Updated last year
- Script to generate distorted perovskite structures☆10Updated last year
- Geometric analysis of crystal structures☆15Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- 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）☆12Updated 3 years ago