romankempt / hetbuilderLinks
Builds 2D heterostructures via coincidence lattice theory.
☆14Updated last year
Alternatives and similar repositories for hetbuilder
Users that are interested in hetbuilder are comparing it to the libraries listed below
Sorting:
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆24Updated last week
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Tools required to calculate the SLME of materials☆13Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Interfacial Phonon code☆28Updated 3 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- Interfacial heat conductance☆12Updated last year
- Calculate 3rd order elastic constant.☆13Updated 7 months ago
- Python program for analyzing the output files of phonopy.☆14Updated 4 years ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- TDEP Tutorials☆32Updated 4 months ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 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…☆14Updated 2 months ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated 10 months ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Updated 3 months ago
- ☆20Updated 10 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- some toolkits for VASP☆32Updated 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…☆25Updated 2 years ago
- Python version ofthe BandUP code☆27Updated last year
- Software to study polarization and topological properties of crystalline solids☆31Updated 11 months ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Updated last month