torbjornbjorkman / cif2cellLinks
Generating geometries for electronic structure calculations from CIF files.
☆44Updated 9 months ago
Alternatives and similar repositories for cif2cell
Users that are interested in cif2cell are comparing it to the libraries listed below
Sorting:
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆65Updated last week
- Band unfolding for phonons☆55Updated 9 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- quick analysis of vasp calculation☆36Updated last year
- Python interface for VASP☆85Updated this week
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 8 months ago
- a python package for computing magnetic interaction parameters☆80Updated this week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆33Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Compressive sensing lattice dynamics☆28Updated 5 months ago
- Visualise lattice vibrations☆98Updated 2 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated 2 months ago
- Blender extensions for illustrations of phonons☆66Updated 6 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 5 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 9 months ago
- ☆67Updated 3 weeks ago
- Site-Occupation Disorder☆42Updated 4 months ago
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆86Updated this week
- ☆39Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆37Updated this week
- A library of ultrasoft and PAW pseudopotentials☆82Updated 2 years ago