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Paketti: openmx (3.7.6-2)

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openmx

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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.

Muut pakettiin openmx liittyvät paketit

  • depends
  • recommends
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  • rec: openmx-data
    package for nano-scale material simulations (data)

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