alejandrogallo / vasp.vim
VASP Syntax for the VIM editor
☆10Updated 5 years ago
Related projects: ⓘ
- Unfolding of first-principle electronic band structure☆13Updated last year
- Visualizations☆11Updated 2 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆31Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated last year
- ☆29Updated 2 months ago
- Julia codes to play with Phonons☆22Updated 5 years ago
- ☆24Updated last year
- Tutorial material for hands-on sessions (work in progress)☆22Updated 3 years ago
- A real-space DFT code☆16Updated 3 years ago
- Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping…☆13Updated last year
- Examples for the TB2J code☆13Updated 3 months ago
- A module for ASE for elastic constants calculation.☆35Updated last month
- Band unfolding for phonons☆48Updated 2 years ago
- AiiDA tutorials web site☆20Updated last week
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆15Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆12Updated 2 years ago
- A collection of examples for running different types of VASP calculations.☆27Updated 7 years ago
- ☆11Updated 6 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆30Updated last month
- A phonon irreducible representations calculator☆17Updated 5 months ago
- A poor man's density functional theory program☆13Updated last week
- Tutorials for the sisl-TBtrans-TranSiesta suite☆33Updated 3 weeks ago
- Python tools for mean-field Hubbard models☆21Updated 8 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆28Updated 5 months ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆22Updated 6 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆24Updated 2 years ago
- Geometric analysis of crystal structures☆14Updated 2 years ago
- Effective mass calculation with DFT☆15Updated 2 years ago
- Python modules for electron–phonon models☆29Updated last week