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

[Tomas Kana]

Dear Cui, 
 I think I know your problem.  You want just one-dimensional plot, I guess. 
 Well, this can be done, if you  modify  5th line in the file case.in5.
There, you normally specify number of points in x-direction (nx) and number of 
points in y-direction (ny). If you want just one-dimensional plot,  you specify 
100 1  (this means 100 points in only x-direction) or 
800 1  (800 points only in x-direction and so on...)
The  file case.in5 (without formating and with my inserted comment is below). 

---------------- top of file: case.in5 --------------------
0 0 0 1 # origin of plot: x,y,z,denominator
1 1 0 1 # x-end of plot
0 0 1 2 # y-end of plot
3 3 3 # x,y,z nshells (of unit cells)
100 100 # nx,ny          **************** THIS IS FIFTH LINE *****************************
RHO # RHO/DIFF/OVER; ADD/SUB or blank
ANG VAL NODEBUG # ANG/ATU, VAL/TOT, DEBUG/NODEBUG
NONORTHO # optional line: ORTHO|NONORTHO
------------------- bottom of file ------------------------

 The output file will be then case.rho_onedim with two columns and easy to plot.
 Then, look more carefully on pages 114, 115 and 116 of the newest version of usersguide.pdf,
 available on  http://www.wien2k.at/reg_user/textbooks/
  There you find  well how to specify  the direction you want. 
This will be always the x-direction  (or direction of x-end, more precisely) that 
you specify in file case.in5
  Good luck
         Tomas 
 

------------ Původní zpráva ------------
Od: shouxincui shouxincui <shxincui at yahoo.com>
Předmět: [Wien] How to plot the valence density distribution along one certain
direction!
Datum: 03.11.2008 03:53:33
----------------------------------------
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