Paket: openmx-data (3.7.6-2)
Links für openmx-data
Trisquel-Ressourcen:
Quellcode-Paket openmx herunterladen:
Betreuer:
Original Maintainers:
- Debian Science Team (E-Mail-Archiv)
- Christophe Prud'homme
Externe Ressourcen:
- Homepage [www.openmx-square.org]
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package for nano-scale material simulations (data)
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.
This package contains the 2013 database of fully relativistic pseudopotentials (VPS) and pseudo-atomic orbitals (PAO), generated by ADPACK.
openmx-data herunterladen
Architektur | Paketgröße | Größe (installiert) | Dateien |
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all | 66.661,4 kB | 260815 kB | [Liste der Dateien] |