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[ Quellcode: openmx  ]

Paket: openmx (3.2.4.dfsg-3build1) [universe]

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Betreuer:

Please consider filing a bug or asking a question via Launchpad before contacting the maintainer directly.

Original Maintainers (usually from Debian):

  • Debian Scientific Computing Team (E-Mail-Archiv)
  • Christophe Prud'homme
  • Ondrej Certik

It should generally not be necessary for users to contact the original maintainer.

Externe Ressourcen:

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Package for nano-scale material simulations

OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations based on density functional theories (DFT), norm-conserving pseudopotentials and pseudo-atomic localized basis functions. Since the code is designed for the realization of large-scale ab initio calculations on parallel computers, it is anticipated that OpenMX can be a useful and powerful tool for nano-scale material sciences in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic materials, and nanoscale conductors.

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