FourPhonon / FourthorderLinks
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.
☆28Updated last year
Alternatives and similar repositories for Fourthorder
Users that are interested in Fourthorder are comparing it to the libraries listed below
Sorting:
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆69Updated last week
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Fix lattice component(s) during relaxation in VASP☆124Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆49Updated 10 months ago
- Phonon anharmonicity analysis from molecular dynamics☆133Updated 3 weeks ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 5 months ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated 2 months 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
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- band plot using python matplotlib☆175Updated 11 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆44Updated 2 weeks ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- quick analysis of vasp calculation☆38Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆90Updated last month
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆41Updated last year
- Defect structure-searching employing chemically-guided bond distortions☆108Updated this week
- ab-initio nonadiabatic molecular dynamics program☆115Updated last year
- ☆57Updated 3 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆31Updated 2 weeks ago
- Visualize vibrational modes from VASP calculations☆43Updated 9 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆50Updated last week
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 6 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆73Updated 2 months ago