rubel75 / fold2Bloch-VASP
Unfolding the band structure of a supercell obtained with VASP
☆24Updated last year
Related projects ⓘ
Alternatives and complementary repositories for fold2Bloch-VASP
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆29Updated 7 months ago
- ☆25Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆26Updated 3 years ago
- ☆29Updated 4 months ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- DensityTool post-processing program for VASP☆28Updated 11 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆23Updated last week
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 2 years ago
- Interfacial Phonon code☆25Updated 2 years ago
- DFT post processing tools☆23Updated 3 months ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- Tools for Phono(3)py power users.☆30Updated last year
- TDEP Tutorials☆20Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- python workflow for GW-BSE calculation☆25Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆37Updated last week
- ☆21Updated 2 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆31Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Visualizations☆11Updated 2 years ago
- KPROJ: A Band Unfolding Program☆35Updated 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…☆10Updated 2 years ago
- ☆10Updated last year
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆22Updated 6 years ago
- Python version ofthe BandUP code☆20Updated last month
- Automatic search for the most stable magnetic state of a given structure☆20Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆25Updated 10 months ago