Pacote: quantum-espresso-data (6.7-3)

Links para quantum-espresso-data

Rastreador de patch eLxr

Baixe o pacote-fonte espresso:

[espresso_6.7-3.debian.tar.xz]
[espresso_6.7-3.dsc]
[espresso_6.7.orig.tar.gz]

Mantenedores(as):

Debichem Team
Michael Banck

Fontes externas:

Pagina principal [www.quantum-espresso.org]

Pacotes similares:

cp2k
nwchem-mpich
nwchem-openmpi
nwchem
cp2k-data
elk-lapw
gpaw
wannier90-data
ergo-data
ergo
lammps-data

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.

Pacotes fornecendo quantum-espresso-data

quantum-espresso-data-sssp: Standard solid-state pseudopotentials (SSSP) library

Download de quantum-espresso-data

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