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[ Source: openmx ]
Package: openmx-data (3.8.5+dfsg1-1)
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- 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.
Download openmx-data
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| all | 75,768.1 kB | 304,671.0 kB | [list of files] |