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
Sorting:
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated last year
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 4 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…☆52Updated last week
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- quick analysis of vasp calculation☆35Updated 11 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆58Updated 2 weeks ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated last month
- Visualize vibrational modes from VASP calculations☆41Updated 3 months ago
- Tools for Phono(3)py power users.☆33Updated last year
- Occupation matrix control modification VASP☆46Updated 5 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆79Updated last year
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 2 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 5 years ago
- KPROJ: A Band Unfolding Program☆44Updated 3 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Band unfolding for phonons☆54Updated 6 months ago
- Phonon anharmonicity analysis from molecular dynamics☆125Updated 6 months ago
- some toolkits for VASP☆29Updated 4 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 6 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 8 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆69Updated 8 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆34Updated last week
- DFT post processing tools☆24Updated 9 months ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆31Updated 9 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆29Updated 5 months ago
- ☆26Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago