articleComputer Physics CommunicationsAug 1, 2002Closed access

Electronic structure calculations of solids using the WIEN2k package for material sciences

KSKarlheinz SchwarzPBPeter BlahaGKGeorg K. H. Madsen

TU Wien

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Topics & keywords

Topics
Keywords
  • WIEN2k
  • Basis (linear algebra)
  • Density functional theory
  • Plane wave
  • Linearization
  • Electronic structure
  • Kohn–Sham equations
  • Atomic orbital
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