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Implementation
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- Wills, John M. (author)
- Los Alamos National Laboratory, Theoretical Division, PO Box 1663, Los Alamos, NM, 87545, USA, PO Box 1663
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- Alouani, Mebarek (author)
- Institut Physique et Chimie des Matériaux de Strasbourg (IPCMS), Universit Strasbourg CNRS-UMR 7504, rue du Loess 22, 67034, Strasbourg CX2, France, rue du Loess 22
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- Andersson, Per (author)
- Swedish Defence Research Agency, FOI, Stockholm, Sweden
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- (creator_code:org_t)
- 2010-11-03
- 2010
- English.
- In: Full-Potential Electronic Structure Method. - Berlin, Heidelberg : Springer Nature. ; , s. 89-93
- Book chapter (other academic/artistic)
Abstract
Subject headings
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- Details of the implementation of the FP-LMTO method are presented in this chapter. This includes programming language, routines for numerical operations like diagonalization and fast Fourier transforms, and parallelization aspects.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
Keyword
- Driver Function
- Fast Fourier Transform
- Hamiltonian Matrix
- Naming Convention
- Wall Clock Time
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- Royal Institute of Technology
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