Balík: openmx-data (3.7.6-2)
Odkazy pre openmx-data
Zdroje Trisquel:
Stiahnuť zdrojový balík openmx:
Správca:
Original Maintainers:
- Debian Science Team (Konferencia)
- Christophe Prud'homme
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 |
---|---|---|---|
all | 66,661.4 kB | 260815 kB | [zoznam súborov] |