MEM Project

.	MEM Project
	a40366@nucc.cc.nagoya-u.ac.jp

　　In this home page, you will find the constitution of the MEM project, the project committee members name, their e-mail address and a few references at present. It is hoped this home page will include more information about MEM works in the field of charge density studies. Your contribution to MEM project and to this home page is most welcome.
　　Click you can get one of MEM program called MEED . The reference of is " MEED: a Program Package for Electron Density Distribution Calculation by the Maximum Entropy Method.", J. Appl. Cryst., 26,453-457 (1993) written by S. Kumazawa, Y. Kubota, M. Takata and M. Sakata.

　　In order to make it possible to crosscheck the various programs under different conditions, e.g. uniform/non-uniform prior, different λ values, etc, several sets of standard data are now supplied in this home page (Standard Data Sets). They are Si, Al₂O₃, MgCu₂ and LiF at a moment. They are relatively simple structure and it is hoped that data sets for more complicated structures is included near future. The standard data sets may be added on request, if it is appropriate. If you have any opinion, requests, candidates of suitable standard data sets or any other useful information, please contact to the chair of the committee or other committee member(s).
　　Examples of the results for standard data sets are also given in this home page (Results for Standard Data Sets). In this section, F(MEM) that are the calculated structure factors from the MEM charge density distributions are also listed. All the examples are calculated by MEED using uniform prior. Anybody who wish to present their results for standard data in this home page should send their results to us. Their results will be added in this section as long as the capacity of the hard disk is allowed. Please try to make your results as compact as possible when you send the results to this home page. It is important keep the home page in a simple form.
　　Theoretically calculated structure factors are included in this home (Theoretical Structure Factors for Standard Materials). They are calculated by Mr. Ikeda (Nagoya University) using LAPW method program called 'WIEN97' (http://info.tuwien.ac.at/theochem/wien97/).　So far, theoretical structure factors are given only for Si and LiF. This will be continued until completing the calculations for all of the standard materials.
　　As a matter of interests, the comparison between experimental and theoretical charge densities is also given in this home page (Comparison between MEM and Theoretical Charge Densities).
　　References are renewed. If you have any information about references for MEM, please let us know.