romankempt / hetbuilder
Builds 2D heterostructures via coincidence lattice theory.
☆12Updated last year
Related projects ⓘ
Alternatives and complementary repositories for hetbuilder
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Tools for Phono(3)py power users.☆30Updated last year
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆18Updated last year
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆25Updated 8 months ago
- Interfacial Phonon code☆25Updated 2 years ago
- some toolkits for VASP☆27Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆30Updated 7 months ago
- Automatic search for the most stable magnetic state of a given structure☆20Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆22Updated this week
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 3 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of t…☆11Updated last year
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆20Updated last week
- Calculate 3rd order elastic constant.☆13Updated 3 years ago
- DFT post processing tools☆23Updated 4 months ago
- Python version ofthe BandUP code☆21Updated last month
- ☆18Updated 5 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆22Updated last month
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- Interfacial heat conductance☆12Updated 2 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆15Updated last year
- Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).☆8Updated 5 years ago
- A python project for quasi-harmonic properties calculations☆9Updated 6 years ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆20Updated 2 years ago