The development and expansion of Questaal Suite has been led by Mark van Schilfgaarde since its inception. During his time with Ole Anderson’s group at the Max Planck Institute for Solid State Institute (1987-1988), Mark implemented Ole’s new tight-binding formulation of the LMTO-ASA method. This code served as the foundation for the well known Stuttgart LMTO-ASA package, and for many descendants of it, including an ASA-GW code by Aryasetiawan, the original formulation of LDA+U, an early formulation of noncollinear magnetism and of linear response for spin waves, and a the first implementation of exact exchange.
There have been many contributors; a partial list is provided below.
Mark van Schilfgaarde (King’s College London) Primary Developer
Michael Methfessel (IHP, Germany) Primary developer of the antecedent to the full-potential package.
Tony Paxton (King’s College London) Original Developer of the tight-binding package; ASA Downfolding
Sasha Lozovoi (MPI Stuttgart) TBE scaling functions and pairwise potentials
Dimitar Pashov (King’s College London) Primary developer of the tight-binding package and the Jigsaw Puzzle Orbitals. Primary Questaal suite maintainer.
Takao Kotani (Tottori University, Japan) Primary developer of the GW package. Professor Kotani maintains his code at github.com/tkotani/ecalj. Both the one-body and the GW code were the same in 2007. They have diverged since then but have many similarities.
Sergei Faleev (IBM Research-Almaden, San Jose) Primary developer of Quasiparticle Self-Consistency in GW, and nonequilibrium Keldysh transport.
Martin Lueders (Daresbury Labs) Primary developer of the MPI version of the QSGW codes
Brian Cunningham (Queen’s University Belfast) Primary developer of ladder diagrams added to GW by Bethe-Salpeter.
Savio Laricchia (King’s College London) Primary developer of implementation of phonons and the electron-phonon interaction into the GW package
Lorenzo Sponza (King’s College London) Primary developer of a QSGW+DMFT implementation
Paolo Pisanti (King’s College London) Primary developer of interface between this package and Rutger’s DMFT
Francois Jamet (King’s College London) Implementation of the interface between this package and TRIQS package for the response function
Walter Lambrecht (Case Western Reserve, Ohio) Added several features to the ASA and full-potential codes, e.g. LDA+U and the optics packages.
Kiril Belashchenko (University of Nebraska) CPA, Spin-Orbit Coupling, in the Green’s function package
Derek Stewart Transmission in the Landauer-Buttiker formalism (layer Green’s function), maintainer of LMSuite website
Hervé Ness (King’s College London) Eigen-modes of propagation in the L/R leads and full scattering S-matrix à la Fisher and Lee (Primary developer).
Fully relativistic Dirac solver
Athanasios Chantis (Editor, Physical Review) Implementation of the fully relativistic Dirac equation into the ASA package, for studying transport
Alena Vishina (King’s College London) Self-consistent fully relativistic Dirac equation; relativistic linear response
Liqin Ke (Ames Lab, Iowa) magnetic linear response, magnetic symmetry, Empty sphere finder
Pooya Azarhoosh (King’s College London) Additions to the optics packaged; involved in code dissemination and documentation
Lewis Christiansen (Imperial College London) Primary developer of Questaal web site
Scott McKechnie (King’s College London) Electric Fields for Spin orbit coupling; involved in redesign of input system and documentation
Gergely Kantor (King’s College London) Primary developer of Questaal web site