[Wien] questions

[Steven Steven Homolya]

----- Original Message -----
From: ËïÉÙÈð <sunsr at ihep.ac.cn>
Date: Saturday, September 4, 2004 11:07 am
Subject: [Wien] questions

> Dear user: 
>      I met a problem when I plot a charge density plane for HgS, 
> which is  hexagonal  structure and the space groupe is P3121. The 
> structure is shown as follows:
<snip>
> I want to set a plane including the centers of the Hg(0.71923271 
> 0.00000000 0.33333333), and S(0.49603658 0.00000000 0.83333333), 
> but I do not know how to  set the coordinations of the origin, the 
> x-end and the y-end, respectively, in the case.in5c file. who can 
> help me?
>

Get yourself a copy of XCrysDen (from www.xcrysden.org). It lets you select planes for charge density plots by clicking on "atoms".

Cheers,
Steve