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
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 9 months ago
- ☆10Updated last year
- Tools for Phono(3)py power users.☆32Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Interfacial Phonon code☆25Updated 2 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆24Updated 3 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 5 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 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…☆20Updated last year
- ☆24Updated last month
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆27Updated last year
- Visualize vibrational modes from VASP calculations☆37Updated 3 weeks ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- 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 9 months ago
- Vizualisation of Atomic Contributions to Phonon Modes☆10Updated 3 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆34Updated this week
- DFT post processing tools☆23Updated 6 months ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- python workflow for GW-BSE calculation☆25Updated last year
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆24Updated 5 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆18Updated 4 months ago
- ☆20Updated last year
- ☆18Updated last month
- TB3Py: Two- and three-body tight-binding calculations for materials☆16Updated 4 months ago