Electron Transport (ELECTRA), open source code from the "GENESIS" project
☆12Dec 3, 2025Updated 3 months ago
Alternatives and similar repositories for ELECTRA
Users that are interested in ELECTRA are comparing it to the libraries listed below
Sorting:
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 7 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Jul 30, 2025Updated 7 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆15Oct 20, 2025Updated 4 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- ☆13Dec 14, 2024Updated last year
- ☆11Mar 3, 2024Updated 2 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆79Aug 3, 2025Updated 7 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- ThermoElectric is a computational framework that computes electron transport coefficients.☆24Sep 23, 2024Updated last year
- Projected Electronic Bands in Quantum Espresso☆15Oct 21, 2025Updated 4 months ago
- Python program for analyzing the output files of phonopy.☆14Sep 14, 2021Updated 4 years ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- ☆13Nov 16, 2022Updated 3 years ago
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- Useful tools integrated for VASP/Wannier90 interface☆12Aug 31, 2022Updated 3 years ago
- Occupation matrix control modification VASP☆53Sep 11, 2019Updated 6 years ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆28Mar 5, 2023Updated 3 years ago
- A python implementation of spherical Bessel transform (SBT) based on algorithm proposed by J. Talman.☆13Dec 18, 2023Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Corrections for formation energy and eigenvalues for charged defect simulations☆14Apr 18, 2023Updated 2 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 2 years ago
- Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics☆14Nov 3, 2021Updated 4 years ago
- Tutorials on atomic simulations related to my research☆31Jun 30, 2022Updated 3 years ago
- DensityTool post-processing program for VASP☆31Nov 29, 2023Updated 2 years ago
- WanTiBEXOS code repository☆16Feb 3, 2026Updated last month
- ☆14May 26, 2021Updated 4 years ago
- Generate isosurface from density data☆14May 11, 2025Updated 9 months ago
- AIRSS works together with VASP.☆15Dec 8, 2022Updated 3 years ago
- Building tight-binding model for generic twisted graphene☆13Aug 30, 2021Updated 4 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- An attention-based deep neural network for thermoelectric transport properties☆17Apr 5, 2023Updated 2 years ago
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆30Apr 29, 2025Updated 10 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Jan 12, 2026Updated last month
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- Automation of VASP DFT workflows with ASE - application scripts☆14May 24, 2023Updated 2 years ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Sep 25, 2023Updated 2 years ago