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 data from a file with CHGCAR/PARCHG format and then interpolates the data onto specified two-dimensional (2D) slice in an arbitrary xy-plane, which will be saved as a '.png' format file.
☆12Updated 4 years ago
Alternatives and similar repositories for STM_2DScan:
Users that are interested in STM_2DScan are comparing it to the libraries listed below
- ☆10Updated last year
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆10Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 8 months ago
- Tools for Phono(3)py power users.☆31Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Interfacial Phonon code☆25Updated 2 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆24Updated 2 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆18Updated 5 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆34Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- ☆16Updated 3 weeks ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆20Updated last year
- A Python 3 script to visualise atomic displacement using the Vesta file format☆16Updated 4 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated 2 weeks ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆18Updated 3 months ago
- ☆22Updated 3 weeks ago
- TDEP Tutorials☆24Updated last month
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆23Updated 4 months ago
- Script to generate distorted perovskite structures☆10Updated 11 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 8 months ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆38Updated 3 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆23Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆15Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆59Updated last year
- ☆20Updated last year