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Python > package > PDielec package > calculates the infrared absorption characteristics of a crystalline material

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The Python package, PDielec calculates the infrared absorption characteristics of a crystalline material supported in a non absorbing medium by post processesing the output of solid state quantum mechanical and molecular mechanical calculations of the phonons or dielectric response of the crystalline material.

  • Authors: John Kendrick and Andrew Burnett
  • Reference
    • John Kendrick and Andrew D. Burnett Journal of Computational Chemistry 2016, vol 27, 1491-1504 DOI: 10.1002/jcc.24344
  • Auxilliary programs are also distributed
    • pgdui
    • preader
    • phonana

http://pymiescatt.readthedocs.io/en/latest/forward.html#AutoMieQ

Thanks to John Kendrick for discussions about where to best place the crossover point.

7of9
セブンオブナインです。Unimatrix 01の第三付属物 9の7という識別番号です。Star trek Voyagerの好きなキャラクターです。まとめ記事は後日タイトルから内容がわからなくなるため、title検索で見つかるよう個々の記事にしてます。いわゆるBorg集合体の有名なセリフから「お前たち(の知識)を吸収する。抵抗は無意味だ」。Thanks in advance.
qiitadon
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