Instructions for herman, hydrad and gnuplot

Table of Contents


This description is development. You might try it, but wait rather for a more complete version !

For complete Unix beginner:

  1. mkdir workname
    where workname is the name you chose....
  2. cd workname
    you position yourself into the workname directory 
  3.  
set path=($path ~ladi/bin) 
rehash
      copy these 2 lines exactly ( by pasting)
      it gives access to the executable files
  4. obtain the data files as specified further

To obtain the data files:

Description of the whole series of steps:

To obtain the data-file:

read the link:  
          in13 - file for Aluminium, Z=13  ( see below )
          save it as a text file
                               in13
          see the links to datafiles below
To construct your own input files, read the instructions for creating the input files 
                  
To run the herman code:

                      herman < in13
           This produces a lot of output files   
           and also the gnuplot commands to plot them.
           run   newgnu
           which gives you a special window running gnuplot 
To run the hydrad code
                       
                      hydrad
                      1
                      13.0
            where 1 is the power of r to multiply
            the wavefunction  ( any r**n can be used)
            Z is on the second line
For Plotting: 
 
                    newgnu
            opens a new window with gnuplot running
            if you are on other screens (remote)
            you can run gnuplot directly
                      gnuplot
            in this case, the communication with the screen must
            be specified. Type help in gnuplot.

Gnuplot Commands

When you run herman it writes already the commands you can directly input into the gnuplot window. You might like to change the x-range (i.e. the horizontal scale): 
 set xrange [ 0:2.5]
Type 
 ls
to see all the files you have. Especially after running 
 hydrad
there will be many new ones. After running 
 herman  < in6
herman has written the following lines 
plot "carb100.h-s" using 1:2 with lines                                         
plot "carb200.h-s" using 1:2 with lines                                         
plot "carb210.h-s" using 1:2 with lines

to combine several datafiles, use in gnuplot: 
plot "eigenvals" using 1:2 with lines
If you wish to combine with others, e.g. outputs of
hydrad 
plot "carb200.h-s" using 1:2 ,"carb210.h-s" using 1:2
or 
plot "carb200.h-s" using 1:2 ,"5hyd20.d" using 1:2

      where    5hyd20.d   comes from  running   hydrad
more about gnuplot: see the Table of Contents

Input files

Table of Contents