andreapondini / DFT_He
DFT simulation of He atom
☆13Updated 3 years ago
Alternatives and similar repositories for DFT_He:
Users that are interested in DFT_He are comparing it to the libraries listed below
- Geometric analysis of crystal structures☆15Updated 2 years ago
- A general parser for VASP☆13Updated last week
- Python modules for electron–phonon models☆29Updated this week
- python workflow for GW-BSE calculation☆25Updated last year
- Julia codes to play with Phonons☆24Updated 6 years ago
- Draft for my book about implementing density functional theory☆18Updated last month
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- Examples for the TB2J code☆15Updated 8 months ago
- NIST Interatomic Potential Repository property calculation tools☆11Updated this week
- ☆18Updated 2 months ago
- TDEP Tutorials☆24Updated 2 months ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆24Updated 11 months ago
- Suite of Python scripts for Perturbo testing and postprocessing☆10Updated this week
- Visualizations☆13Updated 3 years ago
- Python package for detecting spin space group on top of spglib☆14Updated 4 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- WEST code☆19Updated 4 months ago
- 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
- ☆20Updated 3 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆17Updated 2 years ago
- A python project for quasi-harmonic properties calculations☆9Updated 6 years ago
- Tutorial for Wannier2022☆14Updated 2 months ago
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- A computational framework to automate point defect calculations☆35Updated 6 years ago
- A poor man's density functional theory program☆13Updated 4 months ago
- Tools for Phono(3)py power users.☆32Updated last year
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆17Updated 2 weeks ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆13Updated 6 years ago