MateriApps
A Portal Site of Materials Science Simulation

now 317 Apps

Inquiry / Application Request
Detailed search

w2dynamics

  • Openness:3 ★★★
  • Document quality:2 ★★☆

w2dynamics is a hybridization-expansion continuous-time (CT-HYB) quantum Monte Carlo package, developed jointly in Wien and Würzburg. Users can calculate local two- and four-pointfermionic Green’s functions of multi-orbital impurity models. This application also provides DMFT Python code and an interface to wannier90 generated Hamiltonians.

Information
Last Update:2021/03/05

Official site

https://github.com/w2dynamics/w2dynamics

License

GNU General Public License v3.0

Availability   Required:
  • cmake > 2.8.5
  • Fortran-90 compatible Fortran compiler
  • C++ compiler that at least exposes the C++11 RNG. (only trivial fallback provided)
  • working MPI implementation
  • BLAS and LAPACK libraries
  • Python interpreter > 2.4
  • FFTW
Optional:
  • NFFT
  • python-numpy > 1.2
  • libhdf5 > 1.6 with Fortran bindings
  • mpi4py
  • h5py
  • scipy > 0.6 with f2py
  • python-configobj
 
Core Developers Maintainers and principal authors:
  • Markus Wallerberger
  • Andreas Hausoel
  • Patrik Gunacker
  • Alexander Kowalski
  • Nicolaus Parragh
  • Florian Goth
  • Karsten Held
  • Giorgio Sangiovanni
Target substance/model
  • a multi-orbital Anderson impurity model
  • Hubbard model
Physical quantities that can be computed arbitrary one- and two-particle Green’s functions and local physical susceptibilities.
Methodology
  • Hybridization-expansion continuous-time (CT-HYB) quantum Monte Carlo
  • Dynamical mean-field theory (DMFT)
Related App
Related keywords
Document M. Wallerberger, A. Hausoel, P. Gunacker, A. Kowalski, N. Paragh, F. Goth, K. Held, and G. Sangiovanni, Comput. Phys. Commun. 235, 2 (2019).
TOP