Paket: quantum-espresso-data (6.3-4)

[ Kaynak: espresso  ]

Electronic-Structure and Ab-Initio Molecular Dynamics Suite (Documentation)

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving, ultrasoft, and PAW).

This package contains a limited set of pseudo-potentials and example files.

Etiketler: Rol: Uygulama Verisi

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Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
all	30.026,4 kB	63.218,0 kB	[dosya listesi]