dceresoli / qe-gipawLinks
QE-GIPAW for Quantum-Espresso (official repository)
☆38Updated 3 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:
- Simulation Package for Ab-initio Real-space Calculations☆94Updated this week
- ASE density-functional tight-binding calculator☆68Updated 10 months ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆71Updated 6 months ago
- Python-based plane wave density functional theory code for educational purposes☆33Updated 8 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆25Updated last year
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆95Updated this week
- Analysis of quantum chemical interactions in molecules and solids.☆113Updated 2 weeks ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆54Updated last week
- A library of ultrasoft and PAW pseudopotentials☆89Updated 3 years ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆115Updated this week
- Multiple Scattering Theory code for first principles calculations☆74Updated last week
- JDFTx: software for joint density functional theory☆96Updated last week
- ☆30Updated 7 years ago
- A poor man's density functional theory program☆14Updated 2 weeks ago
- MultiResolution Chemistry☆38Updated last week
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆55Updated 2 weeks ago
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- BerkeleyGW python☆32Updated 3 years ago
- This is the official GPL repository of the yambo code☆124Updated last week
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- Many-body dispersion library☆56Updated last month
- D3Q + thermal2☆26Updated last month
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆91Updated last month
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆65Updated last week
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Python framework for generating and validating pseudo potentials☆49Updated 2 years ago
- Library first implementation of the D3 dispersion correction☆74Updated 3 months ago