dceresoli / qe-gipawLinks
QE-GIPAW for Quantum-Espresso (official repository)
☆35Updated 2 months ago
Alternatives and similar repositories for qe-gipaw
Users that are interested in qe-gipaw are comparing it to the libraries listed below
Sorting:
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated 8 months ago
- Multiple Scattering Theory code for first principles calculations☆68Updated 3 weeks ago
- Python-based plane wave density functional theory code for educational purposes☆30Updated 4 months ago
- Simulation Package for Ab-initio Real-space Calculations☆86Updated 3 weeks ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆111Updated last month
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆91Updated this week
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 2 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆49Updated this week
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated last week
- ASE density-functional tight-binding calculator☆67Updated 6 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Fermi surface generation, analysis and visualisation.☆95Updated last week
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- Course materials for NANO 106 - Crystallography of Materials☆35Updated 3 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 5 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Density Functional Theory in real space, for atoms, LDA and LSDA☆29Updated last year
- A tool for creating and manipulating tight-binding models.☆40Updated 5 months ago
- Python framework for generating and validating pseudo potentials☆44Updated last year
- Crawford's Quantum Chemistry Exercises by Python approach☆31Updated 3 years ago
- ☆52Updated this week
- A Wannier90 python interface for VASP and PySCF☆39Updated last year
- A library of ultrasoft and PAW pseudopotentials☆82Updated 2 years ago
- C++ based DFT program for educational purposes☆61Updated 7 months ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated 3 weeks ago
- ☆30Updated 7 years ago
- D3Q + thermal2☆26Updated 2 weeks ago
- JDFTx: software for joint density functional theory☆92Updated 2 months ago
- MultiResolution Chemistry☆34Updated 3 months ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year