nguyen-group / QERaman
A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO
☆14Updated 3 months ago
Alternatives and similar repositories for QERaman:
Users that are interested in QERaman are comparing it to the libraries listed below
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Tutorial files for alamode☆12Updated 7 months ago
- Tutorial for Wannier2022☆14Updated 3 months ago
- TDEP Tutorials☆25Updated 3 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- DFT post processing tools☆23Updated 8 months ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆14Updated this week
- ☆27Updated 2 years ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆12Updated this week
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆16Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated 2 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆10Updated 2 years ago
- python workflow for GW-BSE calculation☆27Updated last year
- Interfacial Phonon code☆26Updated 2 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 9 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆20Updated 4 years ago
- Magnetic critical temperature Calculator☆17Updated 11 months ago
- Band structure unfolding made easy!☆48Updated last week
- Examples for the TB2J code☆16Updated 9 months ago
- Tools for Phono(3)py power users.☆32Updated last year
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆12Updated 6 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆27Updated 4 months ago
- A collection of examples for running different types of VASP calculations.☆30Updated 8 years ago
- ☆29Updated 8 months ago