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.
☆13Updated 5 years ago
Alternatives and similar repositories for STM_2DScan:
Users that are interested in STM_2DScan are comparing it to the libraries listed below
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆24Updated 11 months ago
- Tools for Phono(3)py power users.☆33Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- Interfacial Phonon code☆26Updated 2 years ago
- 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 collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆21Updated last year
- ☆11Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- python workflow for GW-BSE calculation☆27Updated last year
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- TDEP Tutorials☆26Updated 3 months ago
- Band structure unfolding made easy!☆49Updated 2 weeks ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated last month
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆28Updated 4 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- DFT post processing tools☆23Updated 8 months ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆32Updated last week
- Script to generate distorted perovskite structures☆10Updated last year
- A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.☆25Updated 6 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated 2 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated this week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆28Updated last year
- ☆18Updated 3 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month