JuDFTteam / FLEURLinks
Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)
☆16Updated this week
Alternatives and similar repositories for FLEUR
Users that are interested in FLEUR are comparing it to the libraries listed below
Sorting:
- SPMS table of pseudopotentials☆21Updated 3 years ago
- Semiemperical quasiharmonic thermal elasticity☆20Updated last month
- Tutorial for Wannier2022☆16Updated 2 months ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆19Updated 2 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated 2 years ago
- D3Q + thermal2☆26Updated 3 months ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆14Updated 6 years ago
- software package for tight-binding DFT calculations on ground and excited states of molecules☆13Updated 5 years ago
- WEST code☆31Updated 6 months ago
- A general parser for VASP☆15Updated last week
- A phonon irreducible representations calculator☆22Updated last year
- DFT-D3 interface☆12Updated 2 years ago
- ☆21Updated last year
- Pseudopotential Studio☆21Updated 4 years ago
- Julia codes to play with Phonons☆24Updated 7 years ago
- A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files☆16Updated 5 years ago
- interacting Dynamic Electrons Approach☆28Updated 2 months ago
- An interface for ELK-Wannier90 calculations☆16Updated 5 years ago
- A Python library for reading and writing Wannier90 files☆17Updated last year
- TD-DMRG and VHCI package☆10Updated 6 months ago
- Python modules for electron–phonon models☆38Updated 2 weeks ago
- Draft for my book about implementing density functional theory☆20Updated 10 months ago
- ☆13Updated 2 years ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆39Updated last month
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆21Updated this week
- Point symmetry analysis tool for theoretical chemistry objects☆21Updated 2 months ago
- Pythonic electronic structure theory.☆23Updated last week
- Correlation consistent Gaussian basis sets for solids☆25Updated 8 months ago
- On-the-fly generator of space-group irreducible representations☆56Updated last week
- Calculate thermodynamic properties of matter using phonon gas model (PGM)☆16Updated 2 years ago