基本情報
Last Update:2021/03/05
公式サイト
ライセンス
It is distributed free of charge to non-profit Organizations under the CPMD Free License.
http://cpmd.org/the-code
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CPMD
An open-source application for first-principles molecular dynamics simulation based on pseudo-potential and plane-wave basis set. This application enables accurate molecular dynamics by density functional theory and Car-Parrinello method. It also supports structure optimization, Born-Oppenheimer molecular dynamics, path-integral molecular dynamics, calculation of response functions, the QM/MM method, and excited-state calculation.