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[ Source: gpaw  ]

Package: gpaw (1.5.1-1)

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DFT e oltre usando il metodo Projector-Augmented Wave

Codice Python per la teoria del funzionale di densità (DFT) basato sul metodo PAW (Projector-Augmented Wave) e l'ambiente ASE (Atomic Simulation Environment). Usa i metodi delle griglie uniformi nello spazio reale e delle griglie multiple, funzioni base centrate sugli atomi o onde piane.

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Architecture Package Size Installed Size Files
amd64 1,127.8 kB6,143.0 kB [list of files]