WIEN2k swMATH ID: 4975 Software Authors: P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, J. Luitz Description: 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. Homepage: http://www.wien2k.at/ Related Software: Quantum Espresso; LAPACK; ABINIT; lobpcg.m; ScaLAPACK; FLEUR; gnuplot; VASP; Libxc; exciting; Elk; Wannier90; FEAST; JDQZ; Lua; critic; FHI-aims; Runwien; GAUSSIAN; Gmsh Cited in: 36 Publications Standard Articles 2 Publications describing the Software, including 2 Publications in zbMATH Year Iterative diagonalization in augmented plane wave based methods in electronic structure calculations. Zbl 1183.82003Blaha, P.; Hofstätter, H.; Koch, O.; Laskowski, R.; Schwarz, K. 2010 Electronic structure calculations of solids using the WIEN2k package for material sciences. Zbl 1004.81583Schwarz, K.; Blaha, P.; Madsen, G. K. H. 2002 all top 5 Cited by 100 Authors 3 Blaha, Peter 2 Ambrosch-Draxl, Claudia 2 Bientinesi, Paolo 2 Braun, Moritz 2 Chen, Huajie 2 Di Napoli, Edoardo A. 2 Held, Karsten 2 Hofstätter, Harald 2 Koch, Othmar 2 Kuneš, Jan 2 Lin, Lin 2 Luaña, Víctor 2 Madsen, Georg K. H. 2 Otero-De-La-Roza, A. 2 Scheffler, Matthias 2 Schwarz, Karlheinz 2 Toschi, Alessandro 2 Wissgott, Philipp 1 Akbarzadeh, Hadi 1 Aourag, Hafid 1 Arita, Ryotaro 1 Assmann, E. 1 Azadi, Sam 1 Bai, Zhaojun 1 Barsoum, M. W. 1 Bennecer, B. 1 Benramdane, N. 1 Berljafa, Mario 1 Blanco, Mario A. 1 Blügel, Stefan 1 Blum, Volker 1 Bouhafs, B. 1 Boukhris, N. 1 Broderick, Scott R. 1 Cai, Yunfeng 1 Chakraborty, Monodeep 1 Drablia, S. 1 E, Weinan 1 Fahringer, Thomas 1 Farahani, S. Vasheghani 1 Fard, Hamid Mohammadi 1 Feng, Wanxiang 1 Gao, Bin 1 Gehrke, Ralf 1 Ghemid, S. 1 Gómez-Abal, Ricardo I. 1 Hanke, Felix 1 Hashemifar, S. Javad 1 Havu, Paula 1 Havu, Ville 1 He, Wenming 1 Holzwarth, N. A. W. 1 Hrywniak, Markus 1 Hu, Guanghui 1 Ikeda, Hiroaki 1 Jiang, Hong 1 Jollet, François 1 Kalarasse, F. 1 Kalarasse, L. 1 Kebbab, Z. 1 Kuang, Yang 1 Larkin, I. A. 1 Laskowsky, Rolf 1 Lepley, Nicholas 1 Li, Xiaoxu 1 Li, Xin-Zheng 1 Li, Yingzhou 1 Liu, Xin 1 Meisenbichler, Christian 1 Meradji, H. 1 Miloua, F. 1 Miloua, R. 1 Moradian, Rostam 1 Moradiannejad, Farzad 1 Nouet, Gérard 1 Obodo, Kingsley O. 1 Pask, John Ernest 1 Peise, Elmar 1 Pendás, A. Martín 1 Pérez-Jordá, José M. 1 Prodan, Radu 1 Puschnig, Peter 1 Rajan, Krishna 1 Ren, Xinguo 1 Reuter, Karsten 1 Schneider, Reinhold 1 Schwingenschlögl, Udo 1 Shao, Sihong 1 Singh, David J. 1 Spitaler, Jürgen 1 Sukumar, Natarajan 1 Tian, W. B. 1 Torrent, Marc 1 Wen, Jun 1 Xiao, Di 1 Xu, Xiao 1 Yao, Yugui 1 Zhang, Zhimin 1 Zhao, Ren 1 Zhou, Jinjian all top 5 Cited in 15 Serials 14 Computer Physics Communications 5 Physics Letters. A 4 Journal of Computational Physics 2 Computers & Mathematics with Applications 1 Modern Physics Letters B 1 Journal of Computational and Applied Mathematics 1 Mathematics and Computers in Simulation 1 Journal of Scientific Computing 1 Journal of Parallel and Distributed Computing 1 Numerical Algorithms 1 SIAM Journal on Scientific Computing 1 Multiscale Modeling & Simulation 1 European Series in Applied and Industrial Mathematics (ESAIM): Mathematical Modelling and Numerical Analysis 1 Statistical Analysis and Data Mining 1 Journal of Computational Methods in Physics all top 5 Cited in 12 Fields 18 Statistical mechanics, structure of matter (82-XX) 15 Numerical analysis (65-XX) 15 Quantum theory (81-XX) 5 Partial differential equations (35-XX) 3 Calculus of variations and optimal control; optimization (49-XX) 3 Mechanics of deformable solids (74-XX) 2 Computer science (68-XX) 2 Operations research, mathematical programming (90-XX) 1 Statistics (62-XX) 1 Optics, electromagnetic theory (78-XX) 1 Classical thermodynamics, heat transfer (80-XX) 1 Biology and other natural sciences (92-XX) Citations by Year