Balík: openmx-data (3.8.5+dfsg1-1)
Odkazy pre openmx-data
Zdroje Debian:
Stiahnuť zdrojový balík openmx:
Správcovia:
Externé zdroje:
- Domovská stránka [www.openmx-square.org]
Podobné balíky:
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.
Stiahnuť openmx-data
Architektúra | Veľkosť balíka | Nainštalovaná veľkosť | Súbory |
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all | 75,768.1 kB | 304,671.0 kB | [zoznam súborov] |