AdityaRoy-1996 / Phonopy_VESTALinks
Export Eigenvectors from Phonopy format to VESTA
☆49Updated 10 months ago
Alternatives and similar repositories for Phonopy_VESTA
Users that are interested in Phonopy_VESTA are comparing it to the libraries listed below
Sorting:
- Visualize vibrational modes from VASP calculations☆43Updated 9 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆69Updated last week
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated 2 weeks ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆44Updated 2 weeks ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated 2 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆28Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 5 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆21Updated last year
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆50Updated last week
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆120Updated 3 years ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- DFT post processing tools☆26Updated last year
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆41Updated last year
- some toolkits for VASP☆32Updated 4 years ago
- Concentric Approximation - Non-adiabatic Coupling☆25Updated 8 months ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 6 months ago
- Band unfolding for phonons☆57Updated last year
- Interfacial Phonon code☆28Updated 3 years ago
- Fix lattice component(s) during relaxation in VASP☆124Updated 3 years ago