Пакет: openmx-data (3.7.6-2)
Връзки за openmx-data
Ресурси за Trisquel:
Изтегляне на пакет-източник openmx.
Отговорник:
Original Maintainers:
- Debian Science Team (Пощенски архив)
- Christophe Prud'homme
Външни препратки:
- Начална страница [www.openmx-square.org]
Подобни пакети:
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.
Изтегляне на openmx-data
Архитектура | Големина на пакета | Големина след инсталиране | Файлове |
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all | 66 661,4 кБ | 260815 кБ | [списък на файловете] |