Improving the efficiency of FP-LAPW calculations

DOI10.1016/S0010-4655(99)00495-6zbMath1040.82500arXivcond-mat/9902277OpenAlexW2103848598WikidataQ127908694 ScholiaQ127908694MaRDI QIDQ1568605

Peter Blaha, Matthias Scheffler, Frank Wagner, Lars Hufnagel, Max Petersen, Karlheinz Schwarz

Publication date: 2000

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/cond-mat/9902277

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Related Items (5)

An implementation of the atoms in molecules theory to the FPLAPW method ⋮ High-performance generation of the Hamiltonian and overlap matrices in FLAPW methods ⋮ Electronic structure calculations of solids using the WIEN2k package for material sciences ⋮ ELECTRONIC AND THERMOELECTRIC PROPERTIES OF PURE AND ALLOYS In₂O₃ TRANSPARENT CONDUCTORS ⋮ wien-speedup

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