[Pw_forum] About the atomic radii used for visuliztion of a structre.
Hongsheng Zhao
zhaohscas at yahoo.com.cn
Mon Sep 8 11:28:15 CEST 2008
Dear all,
This issue is not so pertinent to the usage of PWSCF itself, but to the visuliztion of a structure. If my question bring inconvenience to this list, I really feel sorry for this!
My issue is as follows:
What's relationship between the atomic radii used for visuliztion of a structre and the atomic real radii of the atoms/ions? This issue arise from the fact that I find many crystal visuliztion tools, i.e., diamond, rasmol, and etc., don't treat the atomic radii according to the real radii of the atoms/ions belong to the structure, never so much as proportionate to the counterpart real radii.
I just cann't understand this thing. In my mind, the atoms/ions should be represent proportional to its real magnitude. Who can give me some hints?
Sincerely yours,
--
Hongsheng Zhao <zhaohscas at yahoo.com.cn>
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences
GnuPG DSA: 0xD108493
2008-9-8
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