LLNL / csldLinks
Compressive sensing lattice dynamics
☆31Updated 7 months ago
Alternatives and similar repositories for csld
Users that are interested in csld are comparing it to the libraries listed below
Sorting:
- TDEP Tutorials☆32Updated 4 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Interfacial Phonon code☆28Updated 3 years ago
- Tools for Phono(3)py power users.☆34Updated last year
- Band structure unfolding made easy!☆57Updated last month
- A for finding optimized SQS structures tool written in C++☆51Updated last week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 4 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆42Updated this week
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆32Updated 11 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated last week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- quick analysis of vasp calculation☆38Updated last year
- Band unfolding for phonons☆57Updated 11 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- Site-Occupation Disorder☆44Updated 6 months ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated last week
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated last month
- python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…☆19Updated last month
- Python version ofthe BandUP code☆27Updated 11 months ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- Visualize vibrational modes from VASP calculations☆43Updated 8 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆40Updated 7 months ago
- Basic programs for generating Slater-Koster files for the DFTB-method☆26Updated 8 months ago
- ☆20Updated 9 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago