DFT calculations of solids with LAPW and WIEN2k

2003/07/22 by Karlheinz Schwarz · 480 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Boundary value problem #Chemistry #Computational chemistry #Condensed matter physics #Crystal structure #Crystallography #Density functional theory #Electronic structure #Inorganic Chemistry and Materials #Inorganic Fluorides and Related Compounds #Local-density approximation #Periodic boundary conditions #Physics #Plane wave #Quantum mechanics #Relaxation (psychology) #WIEN2k

paper · doi:10.1016/s0022-4596(03)00213-5

published in Journal of Solid State Chemistry 176(2), 319-328 (Elsevier BV)

openalex publication_date 2003/07/22 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/06

Citations

• Full-potential, linearized augmented plane wave programs for crystalline systems
• Electronic structure calculations of solids using the WIEN2k package for material sciences

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