Paquet : openmx-data (3.8.5+dfsg1-1)
Liens pour openmx-data
Ressources Debian :
- Rapports de bogues
- Developer Information
- Journal des modifications Debian
- Fichier de licence
- Suivis des correctifs pour Debian
Télécharger le paquet source openmx :
Responsables :
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 | 75 768,1 ko | 304 671,0 ko | [liste des fichiers] |