Electronic structure code for molecules and clusters
☆36May 9, 2026Updated last month
Alternatives and similar repositories for Matlab_Real_Space
Users that are interested in Matlab_Real_Space are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A poor man's density functional theory program☆14May 18, 2026Updated 3 weeks ago
- Multipurpose ab initio MD program.☆12May 30, 2026Updated last week
- plane wave basis set density functional thoery code☆19Mar 29, 2026Updated 2 months ago
- A minimalistic atomic Density Functional Theory (DFT) code☆150Apr 15, 2026Updated last month
- QNim game is quantum version of classical Nim game. In QNim game, human/classical computer will play against quantum computer. Developed …☆12Sep 5, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- A library of ultrasoft and PAW pseudopotentials☆101Sep 16, 2022Updated 3 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 5 years ago
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆19Nov 21, 2019Updated 6 years ago
- 1D density functional theory code in Python☆141Jun 30, 2023Updated 2 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆18Apr 21, 2025Updated last year
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆92Jan 21, 2020Updated 6 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.
- QE-GIPAW for Quantum-Espresso (official repository)☆40May 25, 2026Updated 2 weeks ago
- POST code for second order elastic constant☆45Apr 14, 2020Updated 6 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- FLOSIC code is used for performing self-interaction corrected (SIC) density functional approximation calculations. Fermi Löwdin orbital i…☆17Sep 11, 2025Updated 8 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆85Aug 3, 2025Updated 10 months ago
- ☆13Feb 14, 2025Updated last year
- General purpose Slater-Koster tight-binding library for electronic structure calculations☆21Oct 21, 2025Updated 7 months ago
- Density Functional Theory with Finite Difference and Lagrange Function Basis Sets☆14Oct 29, 2015Updated 10 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆27Jun 23, 2024Updated last year
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated 11 months ago
- Tight-binding calculations in Mathematica☆14Dec 18, 2025Updated 5 months ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Jan 24, 2022Updated 4 years ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆40May 26, 2026Updated 2 weeks ago
- ☆10Jun 9, 2017Updated 9 years ago
- Hartree-Fock Python☆20Jan 14, 2023Updated 3 years ago
- D3Q + thermal2☆27Nov 3, 2025Updated 7 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Collection of commonly used Green's functions and utilities☆21Jun 1, 2026Updated last week
- PauliAlgebra package and supporting documents☆16Jun 7, 2014Updated 12 years ago
- A mathematical look on density-functional theory and DFTK☆35Jul 28, 2021Updated 4 years ago
- The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and tr…☆35May 21, 2026Updated 2 weeks ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆16Aug 19, 2022Updated 3 years ago
- Tutorial notebook for symmetry features in ASE☆26Nov 21, 2019Updated 6 years ago
- ☆28Apr 21, 2026Updated last month