[Wien] Using rhoplot

Yushan Wang wys at UDel.Edu
Tue Dec 14 15:46:43 CET 2004


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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