[Wien] How to plot the valence density distribution along onecertain direction!

[shouxincui shouxincui]

Dear Sir or Madam,
Thank you for your help! my mean is to plot the charge density distribution along a bond direction. In the article (for example, Physica B 396 (2007) 169-176) Fig. 5 (a) and Fig. 5 (b). I wondered how to plot them. the attachment is the figure. Thanks!
Best regards,
Cui

--- On Mon, 11/3/08, Ricardo Faccio <rfaccio at fq.edu.uy> wrote:

From: Ricardo Faccio <rfaccio at fq.edu.uy>
Subject: Re: [Wien] How to plot the valence density distribution along onecertain direction!
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Date: Monday, November 3, 2008, 11:31 AM






Dear Cui 
    I don't know what you really mean by "plot along some direction". But I guess that you are trying to plot rho for different crystallographic planes.  In order to do this, you can use the lapw5. You can easily get ps images for different planes, please refer to page 115 of the UG.
    Another "friendly" option, is to use the XCrysDen Software. It can give you more graphical options to plot 2-d and 3-d images of your electron density.
    It is just and introduction on which tools to select.
Best regards
Ricardo
-------------------------------------------------------------------------
-----   Dr. Ricardo Faccio
 
  Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
  Facultad de Química, Universidad de la República
       Av. Gral. Flores 2124, C.C. 1157
       C.P. 11800, Montevideo, Uruguay.
  E-mail: rfaccio at fq.edu.uy
  Phone: 598 2 9249859
             598 2 9290705
  Fax:    598 2 9241906
  Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm

----- Original Message ----- 
From: shouxincui shouxincui 
To: Wien at zeus.theochem.tuwien.ac.at 
Sent: Sunday, November 02, 2008 11:16 PM
Subject: [Wien] How to plot the valence density distribution along onecertain direction!






Dear wien users,
I am interested in the valence density distribution along a certain direction. Commonly, we ploted the valence distribution in 2D or 3D. But in some papers, the valence density distribution are ploted along a certain direction. I want to know how to plot? Or we must depend on another software (MATLAB). please help me! thanks!
Best regards,
Cui
 




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