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Can you show me to detail use of OpenMX program? Date: 2006/11/20 17:29 Name: Mr.Cong   <cong_khtn@yahoo.com.vn> dear! I've just known about OpenMX, but I don't known clearly about it. could you introduce it to me? thanks anyway regard!!!

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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) [1], norm-conserving pseudopotentials [2, 20, 21], and pseudo atomic localized basis functions [23]... 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: http://www.geocities.co.jp/Technopolis/4765/INTRO/best100e.html

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