FourPhonon / Fourthorder
In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). Please post your questions in the 'Discussion' section of FourPhonon repository.
☆27Updated last year
Alternatives and similar repositories for Fourthorder:
Users that are interested in Fourthorder are comparing it to the libraries listed below
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆64Updated 10 months ago
- Export Eigenvectors from Phonopy format to VESTA☆38Updated 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
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 10 months ago
- Visualize vibrational modes from VASP calculations☆39Updated last month
- quick analysis of vasp calculation☆35Updated 8 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆53Updated 10 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆32Updated 2 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 2 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆55Updated this week
- Occupation matrix control modification VASP☆44Updated 5 years ago
- DFT post processing tools☆23Updated 7 months ago
- KPROJ: A Band Unfolding Program☆38Updated 3 weeks ago
- Tools for Phono(3)py power users.☆32Updated last year
- Allen-Feldman thermal conductivity compatible to GULP implementation☆18Updated 2 weeks ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆28Updated 2 months ago
- Concentric Approximation - Non-adiabatic Coupling☆23Updated last week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- some toolkits for VASP☆28Updated 3 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated 2 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆29Updated 3 weeks ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆55Updated 5 years ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 6 months ago
- ☆18Updated 5 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆67Updated 6 months ago
- ☆48Updated 2 years ago
- ☆43Updated 11 months ago