AdityaRoy-1996 / Phonopy_VESTA
Export Eigenvectors from Phonopy format to VESTA
☆38Updated 2 months ago
Alternatives and similar repositories for Phonopy_VESTA:
Users that are interested in Phonopy_VESTA are comparing it to the libraries listed below
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- KPROJ: A Band Unfolding Program☆38Updated last month
- Concentric Approximation - Non-adiabatic Coupling☆23Updated last month
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆37Updated 6 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆68Updated 7 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆32Updated 2 years ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆112Updated 2 years ago
- Occupation matrix control modification VASP☆45Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 2 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆59Updated 4 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆56Updated 3 weeks ago
- ☆49Updated last year
- Band unfolding for phonons☆54Updated 5 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated 11 months ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- Tools for Phono(3)py power users.☆32Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last month
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆21Updated 3 years ago
- some toolkits for VASP☆28Updated 3 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- ☆18Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated 11 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆45Updated 5 months ago