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From: Aniekan U. <ani...@gm...> - 2016-02-18 12:17:28
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Dear Developers, I have got rings to do the calculations indicated in the attached files, i.e. input, options and *.xyz files for the crystalline phase of Zn2SiO4 in the F3-3m space group. The attached *.dat files contain raw data for the partial g(r). I find that the features in g(r) do no reproduce the crystalline structure 'ordering' that would have been expected for this structure. Why are there no discrete 'peaks of narrow width' in the g(r), or have I missed the trick? -- Dr A. M. Ukpong, Department of Physics, University of Pretoria, Pretoria 0002, South Africa Cell (1): +27 72 096 3302 Cell (2): +27 73 092 0896 Office: +27 12 420 3502 Fax: +27 86 546 7130 E-mail: ani...@up... |