[Pw_forum] about charge density

Hongsheng Zhao zhaohscas at yahoo.com.cn
Tue Aug 26 05:32:59 CEST 2008


On Tuesday, August 26, 2008 at 10:22, wangqj1 at 126.com wrote:
>  
>  Dear all
>       When I plot the 2D charge density of ZnO (1 0 0) with
> pp.x,but I don't know how to set the parameter of the vectors :
> e1(1) =?, e1(2)=?  e1(3) = ?,
> e2(1) =?, e2(2)=?, e2(3) = ?,
>   Could somebody who know it tell me the answer?

They're two span vectors of your plane on which you want to present
the 2D charge density, this job can use the pwgui to accomplish, it is
very convenient and also have some descriptions of the span vectors
you mentioned above in the pwgui's help.

Sincerely yours,
-- 
Hongsheng Zhao <zhaohscas at yahoo.com.cn> 
Xinjiang Technical Institute of Physics and Chemistry
Chinese Academy of Sciences 
GnuPG DSA: 0xD108493
2008-8-26

__________________________________________________
赶快注册雅虎超大容量免费邮箱?
http://cn.mail.yahoo.com



More information about the Pw_forum mailing list