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[ Source: gpaw  ]

Package: gpaw (25.1.0-1 and others)

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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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Download gpaw

Download for all available architectures
Architecture Version Package Size Installed Size Files
amd64 25.1.0-1+b1 1,457.1 kB8,038.0 kB [list of files]
arm64 25.1.0-1+b1 1,439.5 kB8,010.0 kB [list of files]
ppc64el 25.1.0-1+b1 1,462.8 kB8,074.0 kB [list of files]
riscv64 25.1.0-1+b1 1,454.3 kB7,946.0 kB [list of files]
s390x 25.1.0-1+b1 1,466.6 kB8,054.0 kB [list of files]