sedaoturak / Quantum_Espresso_ColabLinks
This repository includes a notebook to run the open-source materials modeling package Quantum Espresso on Google Colab.
☆16Updated 6 months ago
Alternatives and similar repositories for Quantum_Espresso_Colab
Users that are interested in Quantum_Espresso_Colab are comparing it to the libraries listed below
Sorting:
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆18Updated 7 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆23Updated 3 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Updated 3 weeks ago
- Python quantum chemistry (experimental and test routines)☆12Updated 4 years ago
- ☆20Updated 3 years ago
- python workflow for GW-BSE calculation☆31Updated 2 years ago
- ☆15Updated 3 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated last month
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆34Updated 2 weeks ago
- Package for investigation of mulitlayer 2D heterostructures' lattices (Work in progress!)☆22Updated 4 years ago
- Software to study polarization and topological properties of crystalline solids☆31Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆26Updated 2 months ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆47Updated last week
- Multiple Scattering Theory code for first principles calculations☆74Updated 2 weeks ago
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- Extended DeepH (xDeepH) method for magnetic materials.☆40Updated 2 years ago
- Python tools for Quantum ESPRESSO☆36Updated 2 months ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆56Updated 2 years ago
- Calculates self-consistent Fermi level given defect formation energies and the density of states.☆14Updated 5 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆38Updated this week
- Python modules for electron–phonon models☆37Updated 3 weeks ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆18Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- WanTiBEXOS code repository☆15Updated this week
- Density Functional Theory in real space, for atoms, LDA and LSDA☆30Updated 3 weeks ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Updated 10 years ago