Code for the Selected Columns of the Density Matrix suite of algorithms
☆14Dec 7, 2018Updated 7 years ago
Alternatives and similar repositories for SCDM
Users that are interested in SCDM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Julia code for the computation of Wannier functions☆23Nov 30, 2018Updated 7 years ago
- Add on-site SOC to Wannier Hamiltonian.☆18Mar 24, 2021Updated 5 years ago
- Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…☆33May 5, 2022Updated 4 years ago
- A Python program for calculating the surface SHG yield for semiconductors.☆21Sep 15, 2025Updated last year
- Symmetry analysis and symmetrize in Wannier orbitals☆45Apr 26, 2024Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Simulation package for constructing model band structures and calculate momentum resolved EEELS (low loss region) on the basis of these☆17Apr 8, 2021Updated 5 years ago
- ☆25Sep 9, 2026Updated last week
- An updated version of the VASP2WANNIER90v2 interface☆111Sep 19, 2023Updated 3 years ago
- DFT post processing tools☆26Jul 24, 2024Updated 2 years ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 4 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆87Sep 4, 2026Updated 2 weeks ago
- AiiDA tutorials web site☆24Oct 2, 2025Updated 11 months ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆48Aug 24, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 8 months ago
- A Wannier90 python interface for VASP and PySCF☆43Oct 21, 2025Updated 10 months ago
- Finite-size corrections of defect energy levels involving ionic polarization☆11Oct 20, 2022Updated 3 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆11Jul 25, 2025Updated last year
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆24Aug 20, 2026Updated last month
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆16Aug 31, 2026Updated 2 weeks ago
- [ICLR 2026] Advancing Universal Deep Learning for Electronic-Structure Hamiltonian Prediction of Materials☆25Aug 6, 2026Updated last month
- Sky-MoCa Skyrmion - Monte Carlo: Simulated annealing for a 3D spin lattice in Julia☆14Jul 4, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆16Sep 5, 2023Updated 3 years ago
- A mirror of https://gitlab.kwant-project.org/qt/qsymm☆41Mar 20, 2026Updated 5 months ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- WanTiBEXOS code repository☆18Updated this week
- DensityTool post-processing program for VASP☆32Nov 29, 2023Updated 2 years ago
- Python tools for Quantum ESPRESSO☆43May 29, 2026Updated 3 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆16Nov 21, 2023Updated 2 years ago
- General purpose Slater-Koster tight-binding library for electronic structure calculations☆22Oct 21, 2025Updated 10 months ago
- CPLAP is a program designed to determine the thermodynamical stability of a material, and, if it is stable, to determine the ranges of th…☆20Oct 29, 2025Updated 10 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Topological Analysis for Molecular Systems☆17Feb 7, 2019Updated 7 years ago
- Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.☆12Jul 31, 2017Updated 9 years ago
- Julia bindings to the libxc library for exchange-correlation functionals☆25Updated this week
- A package for quickly constructing k·p models of magnetic and non-magnetic crystals☆20Aug 25, 2026Updated 3 weeks ago
- ☆12May 13, 2023Updated 3 years ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 4 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago