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☆65Updated 11 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆39Updated 3 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- Occupation matrix control modification VASP☆45Updated 5 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated 11 months ago
- Concentric Approximation - Non-adiabatic Coupling☆24Updated last month
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆28Updated 3 months ago
- Tools for Phono(3)py power users.☆33Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated 11 months ago
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated this week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆78Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆56Updated last month
- quick analysis of vasp calculation☆35Updated 9 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆29Updated 3 months ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 7 months ago
- some toolkits for VASP☆28Updated 3 years ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆37Updated 7 months ago
- Band unfolding for phonons☆54Updated 5 months ago
- KPROJ: A Band Unfolding Program☆38Updated last month
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆68Updated 7 months ago
- ☆36Updated 5 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated 3 months ago
- DFT post processing tools☆23Updated 8 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆57Updated 5 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆30Updated last month