Пакунок: openmx-data (3.7.6-2)
Links for openmx-data
Trisquel Resources:
Download Source Package openmx:
Maintainer:
Original Maintainers:
- Debian Science Team (Mail Archive)
- Christophe Prud'homme
External Resources:
- Homepage [www.openmx-square.org]
Similar packages:
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.
Завантажити openmx-data
Архітектура | Розмір пакунка | Розмір після встановлення | Файли |
---|---|---|---|
all | 66,661.4 kB | 260815 kB | [список файлів] |