WIEN2WANNIER

an interface program between Wien2k, opens an external URL in a new window and Wannier90, opens an external URL in a new window to obtain maximally localized Wannier functions

• reference: J. Kuneš, R. Arita, P. Wissgott, A. Toschi, H. Ikeda, K. Held, Comp. Phys. Commun. 181, 1888 (2010); arXiv:1004.3934.

WOPTIC

optical conductivity with Wannier functions and adaptive k-mesh refinement

• reference: E. Assmann, P. Wissgott, J. Kuneš, A. Toschi, P. Blaha, K. Held, Comp. Phys. Commun. 202, 1 (2016); arXiv:1507.04881

W2DYNAMICS, opens an external URL in a new window

a continuous-time hybridization-expansion Monte Carlo code for calculating n-particle Green's functions of the Anderson impurity model and within dynamical mean-field theory

• reference: M. Wallerberger, A. Hausoel, P. Gunacker, A. Kowalski, N. Parragh, F. Goth, K. Held, G. Sangiovanni, Comp. Phys. Commun. 235, 388 (2019); arXiv:1801.10209

AbinitioDGA, opens an external URL in a new window

an implementation of a DΓA approach for electronic structure calculations of materials

• reference: A. Galler, P. Thunström, J. Kaufmann, M. Pickem, J. M. Tomczak, K. Held, Comp. Phys. Commun. 245, 106847 (2019); arXiv:1710.06651

victory, opens an external URL in a new window

a collection of numerical tools for solving the parquet equations for the Hubbard model and similar many body problems

• reference: Gang Li, Anna Kauch, Petra Pudleiner, Karsten Held, Comp. Phys. Comm. 241, 146-154 (2019); arXiv:1708.07457

LadderDGA, opens an external URL in a new window

solves the ladder DΓA equations for a single orbital including a Moriya λ correction

jackknife, opens an external URL in a new window

a general implementation of jackknife resampling with extension module and script for jackknifing self-energies and susceptibilites calculated with AbinitioDGA, opens an external URL in a new window

• reference: Patrick Kappl, Markus Wallerberger, Josef Kaufmann, Matthias Pickem, Karsten Held, Phys. Rev. B 102, 085124 (2020); arXiv:2005.04899

beps, opens an external URL in a new window

Boson Exchange Parquet Solver for the atomic limit

FK-FGA-, opens an external URL in a new window

Parquet dual fermion code for the Falicov–Kimball model

• reference: Katharina Astleithner, Anna Kauch, Tin Ribic, and Karsten Held, Phys. Rev. B 101, 165101 (2020); arXiv:1912.01908

TUPS, opens an external URL in a new window

Truncated Unity Parquet Solver, an implementation of the Truncated Unity parquet equations

• reference: Christian J. Eckhardt, Carsten Honerkamp, Karsten Held, and Anna Kauch, Phys. Rev. B 101, 155104 (2020); arXiv:1912.07469

amcheck, opens an external URL in a new window

a tool to check, based on the symmetry arguments, whether a given material is an altermagnet

• reference: Andriy Smolyanyuk, Libor Šmejkal, and Igor I. Mazin, Scipost Phys. Codebases 30 (2024); arXiv:2104.08784