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Institute of Materials Chemistry, TU Vienna. The program package WIEN2k allows to perform electronic structure calculations of solids using density functional use exactly the same BS for total energy comparisons All scripts have a „help“ switch „-h“, which explains flags and options.Download, Guide. Open PDF In Browser, View PDF. Lithium ELNES with WIEN2k October 12, 2018 Contents 1 Tools 2 2 Path 2 3 Setup 3.1 Load Structure . User's Guide, WIEN2k_10.1 (Release 22.03.2011) Peter Blaha WIEN2k. An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties. Check the lattice types in the WIEN2K user guide. lattice H. equiv list Be The default cleaning removes the "<case>.vector*" and "<case>.help*". 64, 1045 (1992) 6. wien2k.at 7. M. Towler, An introductory guide to Gaussian basis sets in solid state electronic structure calculations,

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