michaelschueler / dynamics-w90
A collection of codes to compute dynamics and response quantities from Wannier90 output
☆11Updated 3 months ago
Alternatives and similar repositories for dynamics-w90:
Users that are interested in dynamics-w90 are comparing it to the libraries listed below
- Draft for my book about implementing density functional theory☆18Updated 2 months ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆17Updated last month
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- ☆20Updated 3 years ago
- soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.☆14Updated 2 years ago
- A general parser for VASP☆13Updated last week
- ☆15Updated 7 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆16Updated last week
- 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
- Visualizations☆13Updated 3 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆24Updated last year
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 5 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆20Updated 4 years ago
- DFT simulation of He atom☆13Updated 3 years ago
- ☆11Updated 4 years ago
- D3Q + thermal2☆25Updated last month
- Create wannier functions☆9Updated 2 years ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆15Updated 2 months ago
- A library of Python modules for reading/writing and manipulating data associated with the wannier90 code☆14Updated 4 years ago
- Examples for the TB2J code☆16Updated 9 months ago
- Python package for detecting spin space group on top of spglib☆14Updated 5 months ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated 2 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆13Updated last year
- Add on-site SOC to Wannier Hamiltonian.☆14Updated 4 years ago
- Tutorial for Wannier2022☆14Updated 3 months ago
- Python scripts to calculate thermoelectric properties by using NEGF method in OpenMX code (http://www.openmx-square.org/).☆8Updated 6 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 3 weeks ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated 3 months ago