[Wien] Using rhoplot

[David Zhang Jing Dong]

You can use Matlab to open the case.rho file. 
Reshape the data after the first line into the npx(row),npy(columns) (first
line).
Use the meshgrid to generate the mesh by divided the corresponding the px,
py (first line).
Just use mesh function (3D) or contour (2D), you can make the plot more
beautiful.

About other program, I think if you understand the data format said by the
wienk2k manual, you can plot all the results by yourself.

Regards.

--------------------------------------------------------------------------
David Zhang Jing Dong (PhD)
G13, Chong Yuet Ming Physics Building
Depart of Physics, The University of Hong Kong
Pokfulam Road, Hong Kong SAR
P. R. China
Tel:(+852) 2859 2358
Fax:(+852) 2559 9152 
 

-----Original Message-----
From: wien-admin at zeus.theochem.tuwien.ac.at
[mailto:wien-admin at zeus.theochem.tuwien.ac.at] On Behalf Of Yushan Wang
Sent: Tuesday, December 14, 2004 10:47 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] Using rhoplot

Dear Jorissen,
thanks a lot for your reply.
I really have obtained beautiful plot by using the rhoplot command, but
can you be kind to have a look at this paper: PRB Vol. 61, No.11, Page
7459, (2001). there, there are some beautiful charge plot. and I have two
questions:
(1) is it possible to plot the charge distribution by using other tools?
(2) can you make a dtailed explanation for the sentence:" the contours
starts from 1X10^(-3) eletron/au^3, and change successively by a factor of
root(2)"

thanks

yushan

On Tue, 14 Dec 2004, Jorissen Kevin wrote:

> Dear Yushan,
>
> first of all : to keep this ML 'readable' and useful for future readers
scanning the archives, please use 'subjects' for your questions.
>
> Rhoplot is a csh script, which you can read (and edit).
> Running 'rhoplot -h' will already help you a little.  You can give command
line arguments zmin, dc, zmax which are related to the scale of plotting.
> It has an interactive mode which allows you to set ranges.
> Also you could look at the temporary files it produces, especially :rho2.
This file is used to tell gnuplot what to plot.  You can edit this file to
make the plot look like you wish it to.
>
> good luck,
>
>
> Kevin Jorissen
>
> EMAT - Electron Microscopy for Materials Science
(http://webhost.ua.ac.be/emat/)
> Dept. of Physics
>
> UA - Universiteit Antwerpen
> Groenenborgerlaan 171
> B-2020 Antwerpen
> Belgium
>
> tel  +32 3 2653249
> fax + 32 3 2653257
> e-mail kevin.jorissen at ua.ac.be
>
>
> ________________________________
>
> Van: wien-admin at zeus.theochem.tuwien.ac.at namens Yushan Wang
> Verzonden: di 14-12-2004 3:39
> Aan: wien at zeus.theochem.tuwien.ac.at
> Onderwerp: [Wien] (no subject)
>
>
>
> Dear users,
>
> in some plots of the charge density, I usually see such restrtiction as:
> 1X10 ^(-3) electron/au^3,. My question: what is that means? and how to
> deal with this restriction when we plot using the command: rhoplot?
>
> thanks.
>
> yushan
>
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> Wien at zeus.theochem.tuwien.ac.at
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>
>
>

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