Electronic structure calculations of solids using the WIEN2k package for material sciences
2002/08/01 by K. Schwarz, Karlheinz Schwarz, Peter Blaha +3 · 2,021 citations
Chemistry · Materials Science · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Applied mathematics #Atomic orbital #Basis (linear algebra) #Chemistry #Code (set theory) #Computational chemistry #Computer science #Density functional theory #Electronic structure #Geometry #Heusler alloys: electronic and magnetic properties #Inorganic Chemistry and Materials #Kohn–Sham equations #Linearization #Local-density approximation #Mathematics #Nonlinear system #Physics #Plane (geometry) #Plane wave #Quantum mechanics #WIEN2k
paper · doi:10.1016/s0010-4655(02)00206-0
published in Computer Physics Communications 147(1-2), 71-76 (Elsevier BV)
openalex publication_date 2002/08/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/02
Citations
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