rubel75 / mstarLinks
Effective mass calculation with DFT
☆17Updated 3 weeks ago
Alternatives and similar repositories for mstar
Users that are interested in mstar are comparing it to the libraries listed below
Sorting:
- Tools required to calculate the SLME of materials☆13Updated last year
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated 6 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated 2 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Updated 2 years ago
- Python program for analyzing the output files of phonopy.☆14Updated 4 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 2 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 …☆22Updated 9 months ago
- Interfacial Phonon code☆28Updated 3 years ago
- Projected Electronic Bands in Quantum Espresso☆15Updated 3 months ago
- Visualizations☆14Updated 4 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated last year
- This is a GPU optimized version of ShengBTE.☆19Updated last year
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Updated 6 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆18Updated 4 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Script to generate distorted perovskite structures☆13Updated 2 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 4 years ago
- Electron Transport (ELECTRA), open source code from the "GENESIS" project☆12Updated 2 months ago
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆21Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆28Updated 3 months ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Updated 2 months ago
- ☆21Updated last year
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆15Updated 5 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Updated 4 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 2 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Updated 3 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Updated 9 years ago