Paket: openmx-data (3.7.6-2)
Länkar för openmx-data
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Original Maintainers:
- Debian Science Team (E-postarkiv)
- Christophe Prud'homme
Externa resurser:
- Hemsida [www.openmx-square.org]
Liknande paket:
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.
Hämta openmx-data
Arkitektur | Paketstorlek | Installerad storlek | Filer |
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all | 66.661,4 kbyte | 260815 kbyte | [filförteckning] |