kylebystrom / pawpyseedLinks
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
☆33Updated 3 years ago
Alternatives and similar repositories for pawpyseed
Users that are interested in pawpyseed are comparing it to the libraries listed below
Sorting:
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆33Updated 2 years ago
- Compressive sensing lattice dynamics☆28Updated 5 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated last month
- Band unfolding for phonons☆55Updated 9 months ago
- TDEP Tutorials☆32Updated 2 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆44Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- ☆29Updated last year
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆37Updated 2 weeks ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆50Updated this week
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 9 months ago
- Tools for Phono(3)py power users.☆34Updated last year
- Site-Occupation Disorder☆42Updated 4 months ago
- A Python suite for manipulating VASP input and output☆46Updated this week
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆39Updated 11 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆26Updated 6 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 2 months ago
- Modeling and Crystallographic Utilities☆50Updated 2 years ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆56Updated this week
- Python version ofthe BandUP code☆26Updated 9 months ago
- A module for ASE for elastic constants calculation.☆46Updated 6 months ago