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[材料计算] 材料计算程序的PPt(大家多支持呀)
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,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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