yambo-code / yamboLinks
This is the official GPL repository of the yambo code
☆117Updated this week
Alternatives and similar repositories for yambo
Users that are interested in yambo are comparing it to the libraries listed below
Sorting:
- A high-performance framework for solving phonon and electron Boltzmann equations☆106Updated this week
- Quantum Package : a programming environment for wave function methods☆76Updated 3 weeks ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆106Updated last month
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆92Updated last week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated last month
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆50Updated this week
- Multiple Scattering Theory code for first principles calculations☆68Updated 2 weeks ago
- Full public release of large scale and linear scaling DFT code CONQUEST☆112Updated 2 weeks ago
- A tool for creating and manipulating tight-binding models.☆40Updated 5 months ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆212Updated last week
- JDFTx: software for joint density functional theory☆92Updated 2 months ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated this week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆47Updated 2 years ago
- A tool for calculating topological invariants.☆94Updated 6 months ago
- a python package for computing magnetic interaction parameters☆82Updated last week
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆61Updated 6 months ago
- A Python library for electronic structure pre/post-processing☆187Updated last week
- A minimalistic atomic Density Functional Theory (DFT) code☆137Updated this week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Official mirror of Quantum ESPRESSO☆49Updated 7 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆138Updated 4 months ago
- ☆59Updated last month
- Open source stochastic quantum chemistry☆76Updated last month
- TREX I/O library☆58Updated this week
- A library of ultrasoft and PAW pseudopotentials☆83Updated 2 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- Quantum Monte Carlo package, TurboRVB☆31Updated last week
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆80Updated 7 months ago
- Coupled-cluster package written in Python.☆44Updated 3 weeks ago
- ☆55Updated 2 months ago