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)
☆15Updated last month
Alternatives and similar repositories for Anharmonic-lattice-dynamics
Users that are interested in Anharmonic-lattice-dynamics are comparing it to the libraries listed below
Sorting:
- ☆19Updated 4 months ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆21Updated 4 years ago
- TDEP Tutorials☆29Updated last month
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- Interfacial heat conductance☆12Updated 8 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆13Updated 3 years ago
- Tutorial files for alamode☆12Updated 9 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆12Updated 5 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- ☆20Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated last month
- python workflow for GW-BSE calculation☆28Updated last year
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated 7 months ago
- WanTiBEXOS code repository☆12Updated last week
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- ☆11Updated 2 years ago
- Codes for preparing/postprocessing CP2K input/output files☆9Updated 3 years ago
- DFT post processing tools☆24Updated 9 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated 4 months ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆13Updated 5 years ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 4 years ago