xiangrufan / DFTfun_A_density_functional_theory_solver
A matlab implementation of density functional theory, for demonstrative purpose
☆21Updated 7 years ago
Alternatives and similar repositories for DFTfun_A_density_functional_theory_solver:
Users that are interested in DFTfun_A_density_functional_theory_solver are comparing it to the libraries listed below
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 5 years ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated last year
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论,…☆57Updated 3 years ago
- Tutorials for Quantum Espresso☆19Updated 2 years ago
- ☆31Updated 4 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆42Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆20Updated 4 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- Extended DeepH (xDeepH) method for magnetic materials.☆36Updated last year
- Tutorials for the sisl-TBtrans-TranSiesta suite☆41Updated 4 months ago
- Tutorial notebook for symmetry features in ASE☆24Updated 5 years ago
- python workflow for GW-BSE calculation☆27Updated last year
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆24Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆51Updated last year
- Python modules for electron–phonon models☆32Updated last week
- Modeling and Crystallographic Utilities☆50Updated last year
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated 2 weeks ago
- Some examples of using pymatgen code☆22Updated 6 months ago
- A tool for creating and manipulating tight-binding models.☆37Updated 3 weeks ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated 8 months ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆57Updated 3 years ago
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- A framework to treat strongly correlated materials using beyond-DFT methods☆24Updated 4 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 9 months ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 4 years ago
- ☆21Updated 2 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 5 years ago