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翻訳と辞書　辞書検索 [ 開発暫定版 ] スポンサード リンク pwpaw ： ウィキペディア英語版 pwpaw PWPAW A Projector Augmented Wave (PAW) code for electronic structure calculation. It is a free software package, distributed under the copyleft GNU General Public License. It is a plane wave implementation of the projector augmented wave (PAW) method developed by Peter E Blochl for electronic structure calculations within the framework of density functional theory. In addition to the self-consistent calculation of the electronic structure of a periodic solid, the program has a number of other capabilities, including structural geometry optimization and molecular dynamics simulations within the Born–Oppenheimer approximation.〔(Project augmented wave ), www.wfu.edu, undated (accessed 21 January 2007)〕 ==See also== * Atompaw Software package for electron configuration calculations * EXCITING * Bloch wave 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「pwpaw」の詳細全文を読む スポンサード リンク 翻訳と辞書 : 翻訳のためのインターネットリソース Copyright(C) kotoba.ne.jp 1997-2016. All Rights Reserved.