[ 源代码: openmx ]
软件包: openmx-data (3.7.6-2)
openmx-data 的相关链接
Trisquel 的资源:
下载源码包 openmx:
维护者:
Original Maintainers:
- Debian Science Team (Mail Archive)
- Christophe Prud'homme
外部的资源:
- 主页 [www.openmx-square.org]
相似软件包:
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.