gVallverdu / bandstructureplotsLinks
Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
☆46Updated 7 years ago
Alternatives and similar repositories for bandstructureplots
Users that are interested in bandstructureplots are comparing it to the libraries listed below
Sorting:
- A collection of examples for running different types of VASP calculations.☆31Updated 9 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 3 months ago
- Band unfolding for phonons☆58Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Script library mainly about chemical physics.☆24Updated 6 months ago
- Blender extensions for illustrations of phonons☆67Updated 6 years ago
- Occupation matrix control modification VASP☆53Updated 6 years ago
- ☆29Updated last year
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆106Updated 4 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- quick analysis of vasp calculation☆38Updated last year
- PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra☆13Updated last month
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆75Updated 4 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 7 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆35Updated 2 years ago
- ☆53Updated this week
- Docs and examples for Quantum-Espresso☆17Updated 8 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- A Python suite for manipulating VASP input and output☆48Updated last month
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 4 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Tutorials for the sisl-TBtrans-TranSiesta suite☆44Updated 3 weeks ago
- ase interface for Quantum Espresso☆68Updated 5 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Updated 5 years ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- A Wannier90 python interface for VASP and PySCF☆41Updated last month