band unfolding using quantum espresso
☆12Jul 7, 2023Updated 2 years ago
Alternatives and similar repositories for qe_unfolding
Users that are interested in qe_unfolding are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Projected Electronic Bands in Quantum Espresso☆15Oct 21, 2025Updated 5 months ago
- Julia package for the quantum cluster theories in condensed matter physics, including cluster perturbation theory (CPT), variational clus…☆11Sep 23, 2022Updated 3 years ago
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Mar 9, 2026Updated 3 weeks ago
- Electron-phonon averaged approximation☆11Jun 30, 2025Updated 8 months ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- 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
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Sep 21, 2019Updated 6 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Jun 23, 2020Updated 5 years ago
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 2 years ago
- A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO☆18Feb 23, 2026Updated last month
- Full data of our published papers☆12Oct 11, 2018Updated 7 years ago
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆24Updated this week
- Real-time TDDFT for Quantum-Espresso☆24Jun 22, 2023Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 21, 2025Updated 6 months ago
- Python version ofthe BandUP code☆28Oct 14, 2024Updated last year
- ComDMFT is an ab initio code for simulating correlated quantum materials with crystalline symmetry. It combines the LQSGW code's DFT or …☆35Dec 7, 2023Updated 2 years ago
- Determinant quantum Monte Carlo code for simulating an antiferromagnetic quantum critical metal☆22Dec 9, 2020Updated 5 years ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆44Nov 21, 2025Updated 4 months ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.☆18Mar 31, 2025Updated 11 months ago
- Benchmark calculations with Quantum Espresso☆15Sep 25, 2024Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- DFT-D3 interface☆12Apr 3, 2023Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- Unfolding of first-principle electronic band structure☆14Apr 23, 2023Updated 2 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆14Dec 15, 2025Updated 3 months ago
- scripts related to qe☆28Jan 14, 2022Updated 4 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Sep 14, 2020Updated 5 years ago
- DMRG and DMRGSCF☆15Mar 8, 2024Updated 2 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated 10 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Aug 14, 2022Updated 3 years ago
- Useful tools integrated for VASP/Wannier90 interface☆12Aug 31, 2022Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- Calculating electron-phonon couplings with DFTB.☆10Updated this week
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated 11 months ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 8 months ago
- ☆11Nov 10, 2020Updated 5 years ago