mzkhalid039 / DWBuilderLinks
Ferroelectric/Ferroelastic domain wall builder
☆23Updated last year
Alternatives and similar repositories for DWBuilder
Users that are interested in DWBuilder are comparing it to the libraries listed below
Sorting:
- Export Eigenvectors from Phonopy format to VESTA☆49Updated 10 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated last month
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆47Updated last week
- ☆60Updated last year
- Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of t…☆13Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆43Updated 10 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated last week
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆26Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Updated 5 years ago
- A code for generating irreducible site-occupancy configurations☆51Updated last year
- some toolkits for VASP☆32Updated 4 years ago
- ☆70Updated 7 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated 2 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated 2 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆20Updated 7 months ago
- ☆19Updated 6 years ago
- ASE interface for fully constant potential with VASP☆40Updated last year
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆12Updated last week
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 11 months ago
- ☆44Updated 7 years ago
- Script to generate distorted perovskite structures☆12Updated last year