The program package WIEN2k performs 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. In DFT the local (spin) density approximation (LDA) or the improved version of the generalized gradient approximation (GGA) can be used. WIEN2k is an all-electron scheme including relativistic effects and has many features.

Citation: P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka and J. Luitz, "WIEN2k," Inst. f. Materials Chemistry, TU Vienna. ©2001 by P. Blaha and K. Schwarz. Latest release December 14, 2007.

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