Volkov-da / curie_calculator
Magnetic critical temperature Calculator
☆15Updated 5 months ago
Related projects: ⓘ
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆12Updated 5 years ago
- Construct phonon tight-binding model and calculate its topological properties☆24Updated 5 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆10Updated 2 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 2 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆11Updated 9 months ago
- Calculate 3rd order elastic constant.☆12Updated 2 years ago
- ☆24Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆22Updated this week
- some toolkits for VASP☆25Updated 3 years ago
- DFT post processing tools☆23Updated last month
- python workflow for GW-BSE calculation☆24Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆13Updated 2 weeks ago
- Python Processing Tool for Vasp Ipnut/Output☆12Updated last year
- Python version ofthe BandUP code☆17Updated 3 weeks ago
- Tools for Phono(3)py power users.☆24Updated 10 months ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆22Updated 6 months ago
- Automatic search for the most stable magnetic state of a given structure☆18Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆14Updated last year
- Interfacial Phonon code☆25Updated 2 years ago
- Projected Electronic Bands in Quantum Espresso☆13Updated 8 months ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆16Updated 4 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated 8 months ago
- ☆16Updated 4 years ago
- Public repository for the MATLAB code to compute band structures and other properties of twisted multilayer TMDs☆12Updated 2 years ago
- Julia codes to play with Phonons☆22Updated 5 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆11Updated 4 years ago
- A python package of utils for DFT, Tight binding, etc.☆14Updated 3 months ago