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mywai520

铁杆木虫 (著名写手)


[资源] 详细讲解如何用VESTA做表面模型

VESTA is a 3D visualization program for structural models, volumetric data such as electron/nuclear densities, and crystal morphologies. Some of the novel features of VESTA are listed below.

http://jp-minerals.org/vesta/en/download.html

Deal with multiple structural models, volumetric data, and crystal morphologies in the same window.
Support multiple tabs corresponding to files.
Support multiple windows with more than two tabs in the same process.
Deal with virtually unlimited number of objects such as atoms, bonds polyhedra, and polygons on isosurfaces (theoretical limit on 32bit operating system is 1,073,741,823)
Support lattice transformation from conventional to non-conventional lattice by using matrix. The transformation matrix is also used to create superlattice and sublattice.
Visualize interatomic distances and bond angles that are restrained in Rietveld analysis with RIETAN-FP.
Transparent isosurfaces can be overlap with structural models.
Isosurface can be colored on the basis of another physical quantity.
Arithmetic operations among multiple volumetric data files.
High quality smooth rendering of isosurfaces and sections.
Export high-resolution graphic images exceeding Video card limitation.

用vesta能做的图很多,但是要做表面模型还是有点难度,下面附件详细介绍了如何用vesta做一个表面模型的例子。
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  • 附件 1 : ETasci_2013_SurfacePreparationHowTo.pdf
  • 2014-04-20 07:04:55, 1.45 M

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VASP资料 VASP 第一性原理 ms建立界面
值得收藏 VESTA汇总 第一性 第一性
VASP

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爪机无力啊 先收藏了!

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30楼2014-05-07 19:18:29
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2014-04-20 12:20   回复  
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