[ 原始碼： openmx ]
套件： openmx-data (3.8.5+dfsg1-1build1)
openmx-data 的相關超連結
Trisquel 的資源：
下載原始碼套件 openmx：
- [openmx_3.8.5+dfsg1-1build1.dsc]
- [openmx_3.8.5+dfsg1.orig.tar.gz]
- [openmx_3.8.5+dfsg1-1build1.debian.tar.xz]
維護者：
Original Maintainers:
- Debian Science Team (郵件存檔)
- Innocent De Marchi
外部的資源：
- 主頁 [www.openmx-square.org]
相似套件：
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.