The program package WIEN2k allows to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the full-potential (linearized) augmented plane-wave ((L)APW) + local orbitals (lo) method, one among the most accurate schemes for band structure calculations. WIEN2k is an all-electron scheme including relativistic effects and has many features. It has been licensed by more than 2000 user groups.

References in zbMATH (referenced in 22 articles , 2 standard articles )

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  1. Susi Lehtola; Conrad Steigemann; Micael J.T. Oliveira; Miguel A.L. Marques: Recent developments in libxc - A comprehensive library of functionals for density functional theory (2018) not zbMATH
  2. Di Napoli, Edoardo; Peise, Elmar; Hrywniak, Markus; Bientinesi, Paolo: High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods (2017)
  3. Pérez-Jordá, José M.: Fast solution of Schrödinger’s equation using linear combinations of plane waves (2017)
  4. QuanSheng Wu, ShengNan Zhang, Hai-Feng Song, Matthias Troyer, Alexey A. Soluyanov: WannierTools: An open-source software package for novel topological materials (2017) arXiv
  5. Assmann, E.; Wissgott, P.; Kuneš, J.; Toschi, A.; Blaha, P.; Held, K.: woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement (2016)
  6. Chen, Huajie; Schneider, Reinhold: Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations (2015)
  7. Fard, Hamid Mohammadi; Prodan, Radu; Fahringer, Thomas: Multi-objective list scheduling of workflow applications in distributed computing infrastructures (2014)
  8. Hofstätter, Harald; Koch, Othmar: An approximate eigensolver for self-consistent field calculations (2014)
  9. Cai, Yunfeng; Bai, Zhaojun; Pask, John E.; Sukumar, N.: Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations (2013)
  10. Di Napoli, Edoardo; Berljafa, Mario: Block iterative eigensolvers for sequences of correlated eigenvalue problems (2013)
  11. Jiang, Hong; Gómez-Abal, Ricardo I.; Li, Xin-Zheng; Meisenbichler, Christian; Ambrosch-Draxl, Claudia; Scheffler, Matthias: FHI-gap: a $GW$ code based on the all-electron augmented plane wave method (2013)
  12. Lin, Lin; Shao, Sihong; E, Weinan: Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory (2013)
  13. Auckenthaler, T.; Blum, V.; Bungartz, H.-J.; Huckle, T.; Johanni, R.; Krämer, L.; Lang, B.; Lederer, H.; Willems, P. R.: Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations (2011) ioport
  14. Otero-De-La-Roza, A.; Luaña, Víctor: Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data (2011)
  15. Berger, Maximilian; Fahringer, Thomas: Practical experience from porting and executing the Wien2k application on the EGEE production grid infrastructure (2010) ioport
  16. Blaha, P.; Hofstätter, H.; Koch, O.; Laskowski, R.; Schwarz, K.: Iterative diagonalization in augmented plane wave based methods in electronic structure calculations (2010)
  17. Chakraborty, Monodeep; Spitaler, Jürgen; Puschnig, Peter; Ambrosch-Draxl, Claudia: ATAT@WIEN2k: an interface for cluster expansion based on the linearized augmented planewave method (2010)
  18. Kuneš, Jan; Arita, Ryotaro; Wissgott, Philipp; Toschi, Alessandro; Ikeda, Hiroaki; Held, Karsten: Wien2wannier: from linearized augmented plane waves to maximally localized Wannier functions (2010)
  19. De La Roza, A. Otero; Luaña, Víctor: Runwien: a text-based interface for the WIEN package (2009) ioport
  20. Drablia, S.; Meradji, H.; Ghemid, S.; Boukhris, N.; Bouhafs, B.; Nouet, G.: Electronic and optical properties of BaO, BaS, BaSe, BaTe and BaPo compounds under hydrostatic pressure (2009)

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