[Wien] query regarding opticplot

Gavin Abo gsabo at crimson.ua.edu
Mon Sep 21 01:51:55 CEST 2015


Example in a bash ($) terminal:

username at computername:~/test$ cat test.joint
#2                              Vol =     421.5088774080
#  Energy  [eV]     Im_eps_xx          Im_eps_zz
#
       0.00000     0.25000000E+00     0.00000000E+00
       1.00000     0.50000000E+00     0.50000000E+00
       2.00000     0.75000000E+00     1.00000000E+00
username at computername:~/test$ cp $WIENROOT/opticplot_lapw opticplot2
username at computername:~/test$ chmod +x opticplot2
username at computername:~/test$ gedit opticplot2
     Put a comment (#) in front of "rm $tmp1 $tmp2" on line 280 in 
opticplot2 of WIEN2k 14.2
username at computername:~/test$ sed -n 280p opticplot2
#    rm $tmp1 $tmp2
username at computername:~/test$ ./opticplot2
...
    File to plot:
J
...
Which column to plot?  2
...

Do you want to set ranges? (y/N)N
Do you want a hardcopy? (y/N)y
...
Specify a filename (default is opticplot.ps)opticplot.ps
...
    File to plot:
q
username at computername:~/test$ gedit :opt2
     Edit the gnuplot file called :opt2 in text editor [ 
http://stackoverflow.com/questions/16073232/gnuplot-plotting-a-file-with-4-columns-all-on-y-axis 
]
username at computername:~/test$ cat :opt2
set title 'test.joint'
set style data lines
set terminal png
set output "opticplot2.png"
set xrange [:]
set yrange [:]
set xlabel "Energy [eV]"
set ylabel "Im_eps"

plot ":opt1" using 1:2 title "Im_eps_xx", \
      ":opt1" using 1:3 title "Im_eps_zz"
username at computername:~/test$ gnuplot :opt2

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150920/adeaaf61/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: agbdibdf.png
Type: image/png
Size: 6499 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150920/adeaaf61/attachment.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: caegbieh.png
Type: image/png
Size: 7606 bytes
Desc: not available
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150920/adeaaf61/attachment-0001.png>


More information about the Wien mailing list