materialscloud-org / hubbard-koopmans-2022
Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response
☆22Updated 2 years ago
Alternatives and similar repositories for hubbard-koopmans-2022:
Users that are interested in hubbard-koopmans-2022 are comparing it to the libraries listed below
- Electron-phonon averaged approximation☆11Updated 2 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆41Updated 10 months ago
- Full data of our published papers☆12Updated 6 years ago
- Python version ofthe BandUP code☆22Updated 6 months ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 10 months ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆24Updated last year
- ☆28Updated 2 years ago
- Symmetry analysis and symmetrize in Wannier orbitals☆41Updated last year
- ☆13Updated 4 years ago
- WanTiBEXOS code repository☆12Updated 7 months ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- ☆65Updated last week
- Tutorials for the sisl-TBtrans-TranSiesta suite☆41Updated 5 months ago
- Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…☆30Updated 2 years ago
- python workflow for GW-BSE calculation☆27Updated last year
- Converts the VASP WAVECAR to UNK files for wannier90.☆23Updated 4 years ago
- A tool for creating and manipulating tight-binding models.☆39Updated last month
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- Python code for twisting the 2D materials.☆29Updated 2 years ago
- ☆20Updated 6 years ago
- Tutorials for Quantum Espresso☆19Updated 2 years ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆21Updated 3 years ago
- A Wannier90 python interface for VASP and PySCF☆38Updated last year
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆29Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 11 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Ab initio tight binding simuation package☆24Updated last week
- A relaxed kp model of twisted bilayer graphene☆47Updated last year