AdityaRoy-1996 / Phonopy_VESTALinks
Export Eigenvectors from Phonopy format to VESTA
☆46Updated 8 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:
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Visualize vibrational modes from VASP calculations☆42Updated 7 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last year
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated this 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
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆68Updated last month
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 3 months ago
- Tools for Phono(3)py power users.☆34Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 3 months ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆27Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆62Updated last week
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆37Updated 2 weeks ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 8 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- Tutorials on atomic simulations related to my research☆29Updated 3 years ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 4 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆45Updated last year
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 6 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆40Updated last year
- some toolkits for VASP☆30Updated 4 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- Band structure unfolding made easy!☆53Updated this week
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 10 months ago
- ☆56Updated 3 years ago