TnakaTnakaTnaka / PHNEGF
Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
☆20Updated 4 years ago
Alternatives and similar repositories for PHNEGF:
Users that are interested in PHNEGF are comparing it to the libraries listed below
- TDEP Tutorials☆24Updated 2 months ago
- Interfacial Phonon code☆26Updated 2 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 2 months ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated 3 months ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 9 months ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆24Updated last year
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- Tools for Phono(3)py power users.☆32Updated last year
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆12Updated 5 years ago
- Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).☆8Updated 6 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Non-equilibrium green's function method☆16Updated 9 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆23Updated last month
- Julia codes to play with Phonons☆24Updated 6 years ago
- python workflow for GW-BSE calculation☆26Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆32Updated 2 years ago
- Tutorial files for alamode☆12Updated 7 months ago
- Magnetic critical temperature Calculator☆17Updated 11 months ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆23Updated 2 years ago
- Tutorial for Wannier2022☆14Updated 3 months ago
- DFT post processing tools☆23Updated 7 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆12Updated 5 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago