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Adding a new dimension to DFT calculations of solids ...


The development of WIEN2k was made possible by support from many sources. We try to give credit to all who have contributed. We hope not to have forgotten anyone who made an important contribution for the development or the improvement of the WIEN2k code. If we did, please let us know (we apologize and will correct it). The main developers in addition to the authors are the following groups:

  • C. Ambrosch-Draxl (Univ. Graz, Austria) and her group
  • T. Charpin (Paris), elastic constants
  • H. Hofstaetter and O.Koch (Vienna) iterative diagonalization
  • C. Först (Vienna), afminput
  • M. Jamal (Iran), scripts + 2D optimization
  • E. Kabliman (TU Vienna), arrows
  • F. Karsai (TU Vienna), elast, lapwso
  • D. Koller (TU Vienna), prepare_xsf_lapw
  • R. Laskowski (Vienna), structeditor, mpi-parallel version, various optimizations, NMR module
  • R. Luke (Univ. Delaware), mixer
  • L. Marks (Northwestern Univ), mixer, PORT option of mini, various other optimizations
  • M. Nelhiebel, P. Schattschneider (Vienna), Kevin Jorissen (Univ. Antwerp), C.Hebert (TUW): (telnes)
  • P. Novák and J. Kunes (Prague), LDA+U, SO, EECE
  • C. Persson (Uppsala), irreducible representations
  • M. Scheffler (Fritz Haber Inst., Berlin) and his group
  • E. Sjöstedt and L Nordström (Uppsala, Sweden), APW+lo
  • J. Sofo and J. Fuhr (Barriloche), Bader analysis
  • F. Tran (Vienna), Hybid-functionals for correlated electrons, WC, PBEsol potentials
  • P. Wissgott (TU Vienna) join_vectorfiles
  • B. Yanchitsky and A. Timoshevskii (Kiev), sgroup
We want to thank those WIEN97 users, who reported bugs or made suggestions and thus contributed to the new version as well as persons who have made major contributions in the development of previous versions of the code:
  • R. Augustyn (Vienna), U. Birkenheuer (Munich), P. Blöchl (IBM Zürich), F. Boucher (Nantes), A. Chizmeshsya (Arizona), R. Dohmen and J. Pichlmeier (RZG, Garching), P. Dufek (Vienna), H. Ebert (Munich), E. Engel (Frankfurt), H. Enkisch (Dortmund), M. Fähnle (MPI Stuttgart), B. Harmon (Ames, Iowa), S. Kohlhammer (Stuttgart), T. Kokalj (Ljubljana), H. Krimmel (Stuttgart), P. Louf (Vienna), I. Mazin (Washington), M. Nelhiebel (Vienna), V. Petricek (Prague), C. Rodrigues (La Plata, Argentina), P. Schattschneider (Vienna), R. Schmid (Frankfurt), D. Singh (Washington), H. Smolinski (Dortmund), T. Soldner (Leipzig), P. Sorantin (Vienna), S. Trickey (Gainesville), S. Wilke (Exxon, USA), B. Winkler (Kiel)

We take this opportunity to thank for all contributions.

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