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xhyu

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[×ÊÔ´] [²ÄÁϼÆËã] ²ÄÁϼÆËã³ÌÐòµÄPPt(´ó¼Ò¶àÖ§³Öѽ)

,The GULP is designed to perform a variety of tasks based on force field methods.
*,The original code was written to facilitate the fitting of interatomic potentials to both energy surfaces and empirical data.
*,However, it has expanded now to be  a general purpose code for the modelling of condensed phase problems.
*,While version 1.0 focussed on solids, clusters and embedded defects, the latest version is also capable of handling surfaces, interfaces, and polymers.
0-D (clusters and embedded defects)
1-D (polymers)
2-D (slabs and surfaces)
3-D (bulk materials
It is a good program to micmic material!

[ Last edited by xhyu on 2007-10-23 at 17:42 ]
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лл,ÕýÔÚѧϰÖÐ.
24Â¥2007-10-12 07:41:17
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xhyu

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


Sorry,I forget the program.This is GULP PPT!
2Â¥2007-09-02 19:58:59
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yuzhe_999

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3Â¥2007-09-02 21:41:38
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