mzjb / xDeepHLinks
Extended DeepH (xDeepH) method for magnetic materials.
☆40Updated 2 years ago
Alternatives and similar repositories for xDeepH
Users that are interested in xDeepH are comparing it to the libraries listed below
Sorting:
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆47Updated last month
- ☆112Updated 2 years ago
- DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.☆98Updated last week
- The Temperature Dependent Effective Potentials (TDEP) code☆96Updated last week
- HPRO: Hamiltonian Projection and Reconstruction to atomic Orbitals☆29Updated last year
- a python package for computing magnetic interaction parameters☆90Updated last week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆35Updated 2 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆62Updated 3 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆33Updated last year
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Updated this week
- python workflow for GW-BSE calculation☆31Updated 2 years ago
- Ab initio tight binding simuation package☆38Updated last month
- Python-based plane wave density functional theory code for educational purposes☆33Updated 10 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆68Updated 3 months ago
- A machine learning workflow for calculating the electron-phonon coupling (EPC)☆32Updated last month
- Compressive sensing lattice dynamics☆32Updated 10 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- ☆24Updated 7 years ago
- quick analysis of vasp calculation☆38Updated last year
- Massively parallel vibrational mode calculator.☆23Updated last year
- A Wannier90 python interface for VASP and PySCF☆41Updated 2 months ago
- ☆13Updated 10 months ago
- Tutorials for the sisl-TBtrans-TranSiesta suite☆44Updated last month
- LAMMPS interface for phonon calculations using phonopy☆90Updated 2 months ago
- ☆73Updated last month
- Multiple Scattering Theory code for first principles calculations☆75Updated this week
- Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…☆31Updated 3 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆59Updated last week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Updated 2 years ago