KeivanS / Anharmonic-lattice-dynamics
Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properties based on BTE (THERMACOND), and the thermal equilibrium state using SCP theory (SCOP8)
☆12Updated this week
Alternatives and similar repositories for Anharmonic-lattice-dynamics:
Users that are interested in Anharmonic-lattice-dynamics are comparing it to the libraries listed below
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Tutorial files for alamode☆12Updated 7 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆16Updated 2 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory