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Implementation of the nielsen algorithm in the algebraic programming system APS-1

✍ Scribed by A. A. Letichevskii; S. L. Krivoi

Publisher: Springer US
Year: 1994
Tongue: English
Weight: 362 KB
Volume: 30
Category: Article
ISSN: 1573-8337
DOI: 10.1007/bf02367756

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## Abstract The finite field approach has been implemented in the periodic __ab initio__ CRYSTAL program and been used for calculating the dielectric constants of crystalline LiF and MgO (FCC structure) and BeO (wurtzite structure). To maintain the periodicity along the applied field direction, a “