中国物理B ›› 2009, Vol. 18 ›› Issue (6): 2459-2463.doi: 10.1088/1674-1056/18/6/056

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

A revised version of the program VEC (visual computing in electron crystallography)

李雪明, 李方华, 范海福   

  1. Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
  • 收稿日期:2009-02-19 修回日期:2009-03-02 出版日期:2009-06-20 发布日期:2009-06-20
  • 基金资助:
    Project supported by the National Basic Research Program of China (Grant No 2006CB601001) and the National Natural Science Foundation of China (Grant No 50672124).

A revised version of the program VEC (visual computing in electron crystallography)

Li Xue-Ming(李雪明), Li Fang-Hua(李方华), and Fan Hai-Fu(范海福)†   

  1. Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
  • Received:2009-02-19 Revised:2009-03-02 Online:2009-06-20 Published:2009-06-20
  • Supported by:
    Project supported by the National Basic Research Program of China (Grant No 2006CB601001) and the National Natural Science Foundation of China (Grant No 50672124).

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摘要： The program package VEC (Visual computing in Electron Crystallography) has been revised such that (i) a program converting one-line symbols to two-line symbols of (3+1)-dimensional superspace groups has been incorporated into VEC so that the latter can interpret both kinds of symbols; (ii) a bug in calculating structure factors of one-dimensionally incommensurate modulated crystals has been fixed. The correction has been verified by successfully matching the experimental electron microscopy image of an incommensurate crystal with a series of simulated images. The precompiled revised version of VEC and relevant materials are available on the Web at http://cryst.iphy.ac.cn.

Abstract: The program package VEC (Visual computing in Electron Crystallography) has been revised such that (i) a program converting one-line symbols to two-line symbols of (3+1)-dimensional superspace groups has been incorporated into VEC so that the latter can interpret both kinds of symbols; (ii) a bug in calculating structure factors of one-dimensionally incommensurate modulated crystals has been fixed. The correction has been verified by successfully matching the experimental electron microscopy image of an incommensurate crystal with a series of simulated images. The precompiled revised version of VEC and relevant materials are available on the Web at http://cryst.iphy.ac.cn.

Key words: VEC, electron crystallography, computer program

中图分类号:  (Computer systems: hardware, operating systems, computer languages, and utilities)

  • 07.05.Bx
07.78.+s (Electron, positron, and ion microscopes; electron diffractometers) 68.37.-d (Microscopy of surfaces, interfaces, and thin films)