| Re: Can you show me to detail use of OpenMX progra ( No.1 )|
- Date: 2006/11/22 02:03
- Name: Pavel <PBSorokin@gmail.com>
- OpenMX (Open source package for Material eXplorer) is a program package for nano-scale material simulations, which is designed for the realization of large-scale ab initio calculations based on a density functional theory (DFT) , norm-conserving pseudopotentials [2, 20, 21], and pseudo atomic localized basis functions ...
This is the introduction to OpenMX. You can find one in http://staff.aist.go.jp/t-ozaki/openmx/openmx.html If you can't understand some terms, you must read papers about DFT calculations. For example, you can read papers from this site: