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:
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- A collection of examples for running different types of VASP calculations.☆31Updated 8 years ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra☆13Updated last month
- Band unfolding for phonons☆55Updated 9 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- ☆67Updated 3 weeks ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆71Updated this week
- quick analysis of vasp calculation☆36Updated last year
- Effective Mass Calculator for Semiconductors☆109Updated 4 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆45Updated last year
- ☆29Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆43Updated 8 months ago
- A Python suite for manipulating VASP input and output☆46Updated last week
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- A Wannier90 python interface for VASP and PySCF☆39Updated last year
- Docs and examples for Quantum-Espresso☆16Updated 8 years ago
- DensityTool post-processing program for VASP☆31Updated last year
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆35Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- An updated version of the VASP2WANNIER90v2 interface☆97Updated last year
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- A repository hosting materials used during Wannier-related tutorials and schools☆41Updated last year
- Site-Occupation Disorder☆42Updated 4 months ago