Electronic structure calculations of solids using the WIEN2k package for material sciences
By Karlheinz Schwarz, Peter Blaha, Georg K. H. Madsen. 2002
1,585 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, Inorganic Chemistry
View Paper: https://www.semanticscholar.org/paper/ee54697b1cc40bfe6eaf937554e68bbc13a2311e
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In Atomic and Molecular Physics, and Optics
- Ivo Souza
- Nicola Marzari
- D. Vanderbilt
- Arash A. Mostofi
- Jonathan R. Yates
- Á. Pendás
- M. Blanco
- Alberto Otero-de-la-Roza
In Electronic, Optical and Magnetic Materials
In Inorganic Chemistry
Citations in the corpus
- Maximally-localized Wannier Functions: Theory and Applications (2011, methodology): “…code packages including Quantum ESPRESSO (Giannozzi et al., 2009), Abinit (Gonze et al., 2009), FLEUR (Freimuth et al., 2008), WIEN2k (Kuneš et al., 2010; Schwarz et al., 2002), Siesta (Korytár et al., 2010; Soler et al., 2002), and VASP (Franchini et al., 2011; Kresse and Furthmüller, 1996).”
- Critic: a new program for the topological analysis of solid-state electron densities (2009, methodology): “In this first public version, critic accepts two different types of electron densities: those obtained in a full-potential linearized augmented plane-waves (FPLAPW) calculation [24,25] using the WIEN2k package [26,27]; and those calculated using the ab initio perturbed ion (aiPI) formalism [28,29], ”
- Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data (2011, methodology): “All results correspond to FPLAPW (Full Potential Linear Augmented Plane Waves) calculations in the LDA approximation, and have been done with the runwien interface [38] of the wien2k code (release 10) [39,40].”