keeeto / SLMEToolsLinks
Tools required to calculate the SLME of materials
☆13Updated 11 months ago
Alternatives and similar repositories for SLMETools
Users that are interested in SLMETools are comparing it to the libraries listed below
Sorting:
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Updated last month
- Python program for analyzing the output files of phonopy.☆14Updated 3 years ago
- Projected Electronic Bands in Quantum Espresso☆14Updated last month
- WanTiBEXOS code repository☆14Updated 2 weeks ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆13Updated 2 years ago
- Interfacial heat conductance☆12Updated 11 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 3 weeks ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- Script to generate distorted perovskite structures☆12Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆23Updated 6 months ago
- Magnetic critical temperature Calculator☆17Updated last year
- Interfacial Phonon code☆28Updated 3 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆11Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆20Updated 3 months ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated last month
- Python version ofthe BandUP code☆26Updated 10 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Calculate 3rd order elastic constant.☆13Updated 5 months ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆14Updated 5 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 2 months ago