[ buster ]
[ sid ]
[ Source: openmx ]
Paketti: openmx-data (3.8.5+dfsg1-1)
Links for openmx-data
Debian-palvelut:
Imuroi lähdekoodipaketti openmx:
Ylläpitäjät:
External Resources:
- Kotisivu [www.openmx-square.org]
Samankaltaisia paketteja:
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.
Imuroi openmx-data
| Arkkitehtuuri | Paketin koko | Koko asennettuna | Tiedostot |
|---|---|---|---|
| all | 75,768.1 kt | 304,671.0 kt | [tiedostoluettelo] |