mzkhalid039 / DWBuilder
Ferroelectric/Ferroelastic domain wall builder
☆16Updated last month
Related projects ⓘ
Alternatives and complementary repositories for DWBuilder
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆30Updated 2 years ago
- Visualize vibrational modes from VASP calculations☆37Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆35Updated last month
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆47Updated 3 weeks ago
- Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of t…☆11Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆30Updated 7 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆51Updated 2 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆46Updated 3 months ago
- ☆18Updated 5 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆17Updated this week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆37Updated 6 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆48Updated 7 months ago
- Automatic search for the most stable magnetic state of a given structure☆20Updated last year
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆18Updated last year
- ☆46Updated 2 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆17Updated 5 years ago
- some toolkits for VASP☆27Updated 3 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆26Updated 5 months ago
- Interfacial Phonon code☆25Updated 2 years ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆25Updated 8 months ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆25Updated last year
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 2 years ago
- Tools for Phono(3)py power users.☆30Updated last year
- ☆22Updated 2 years ago
- Occupation matrix control modification VASP☆42Updated 5 years ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆72Updated last year
- ☆39Updated 6 years ago