Paquet : openmx-data (3.7.6-2)
Liens pour openmx-data
Ressources Trisquel :
Télécharger le paquet source openmx :
Responsable :
Original Maintainers:
- Debian Science Team (Archive du courrier électronique)
- Christophe Prud'homme
Ressources externes :
- Page d'accueil [www.openmx-square.org]
Paquets similaires :
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.
Télécharger openmx-data
Architecture | Taille du paquet | Espace occupé une fois installé | Fichiers |
---|---|---|---|
all | 66 661,4 ko | 260815 ko | [liste des fichiers] |