Re: [Wien] query regarding opticplot

2015-09-21 Thread Dr. K. C. Bhamu
Thank you Gavin.
I got it.
I have some doubts for more details. First I will try and then inform you.
Like colour change, linewidth (this may be useful in case of doss)

Sincerely
Bhamu



On Mon, Sep 21, 2015 at 5:21 AM, Gavin Abo  wrote:

> Example in a bash ($) terminal:
>
> username@computername:~/test$ cat test.joint
> #2  Vol = 421.5088774080
> #  Energy  [eV] Im_eps_xx  Im_eps_zz
> #
>   0.0 0.2500E+00 0.E+00
>   1.0 0.5000E+00 0.5000E+00
>   2.0 0.7500E+00 1.E+00
> username@computername:~/test$ cp $WIENROOT/opticplot_lapw opticplot2
> username@computername:~/test$ chmod +x opticplot2
> username@computername:~/test$ gedit opticplot2
> Put a comment (#) in front of "rm $tmp1 $tmp2" on line 280 in
> opticplot2 of WIEN2k 14.2
> username@computername:~/test$ sed -n 280p opticplot2
> #rm $tmp1 $tmp2
> username@computername:~/test$ ./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@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@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@computername:~/test$ gnuplot :opt2
>
>
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Re: [Wien] query regarding opticplot

2015-09-21 Thread Víctor Luaña Cabal
On Mon, Sep 21, 2015 at 03:48:29PM +0530, Dr. K. C. Bhamu wrote:
> Thank you Prof Blaha
> I usually do same as you suggested. I extract these files in excel and then
> used to plot in another softwares.
> I wanted through terminal just for new learning and really it also gives
> good plots.

Bhamu,

gnuplot is excellent, but it has some limitations. The veusz
(http://home.gna.org/veusz) follows a line very familiar for gnuplot
users and it represents a clear improvement on flexibility. You may
enjoy giving it a look.

It is also GPL like gnuplot. I would not mention it otherwise.

Best regards,
  V'ictor Lua~na
--
 .  ."In science a person can be convinced by a good argument.
/ `' \   That is almost impossible in politics or religion"
   /(o)(o)\  (Adapted from Carl Sagan)
  /`. \/ .'\  "Lo mediocre es peor que lo bueno, pero también es peor
 /   '`'`   \ que lo malo, porque la mediocridad no es un grado, es una
 |  \'`'`/  | actitud" -- Jorge Wasenberg, 2015
 |  |'`'`|  | (Mediocre is worse than good, but it is also worse than
  \/`'`'`'\/  bad, because mediocrity is not a grade, it is an attitude)
===(((==)))==+=
! Dr.Víctor Luaña, in silico chemist & prof. !"I have two kinds of problems,
! Departamento de Química Física y Analítica ! the urgent and the important.
! Universidad de Oviedo, 33006-Oviedo, Spain ! The urgent are not important,
! e-mail:   vic...@fluor.quimica.uniovi.es   ! and the important are never
! phone: +34-985-103491  fax: +34-985-103125 ! urgent.
++(Dwight D. Eisenhower)
 GroupPage : http://azufre.quimica.uniovi.es/ 
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Re: [Wien] query regarding opticplot

2015-09-21 Thread Dr. K. C. Bhamu
Thank you Prof Blaha
I usually do same as you suggested. I extract these files in excel and then
used to plot in another softwares.
I wanted through terminal just for new learning and really it also gives
good plots.

Sincerely

*Bhamu*

On Sun, Sep 20, 2015 at 9:33 PM, Peter Blaha 
wrote:

> You need to know GNUPLOT and csh syntax to do this.
>
> However, wh not plotting the text files (case.epsilon, sigma, ...) with
> your favorite program. You can for instance transfer these files to
> windows, import them into excel and plot there, .
>
> Am 20.09.2015 um 08:15 schrieb Dr. K. C. Bhamu:
>
>> Dear Prof Blaha and users
>> I want to plot optical properties directly from terminal. I am getting
>> plot with a single column but I want to plot two/three column
>> simultaneously (E vs XX together).
>> Is there any idea? I tried to change script of optic plot program but
>> could not succeeded.
>>
>>  set optic = J  # for JOINT DOS
>>= E  # for EPSILON
>>= S  # for SIGMAK
>>= I  # for SIGMA_INTRA
>>
>>  set col = "2"  # which column to plot, more than one
>> # column can be given
>>  set xmin = -15 # with xmin, xmax, ymin, ymax you
>>  set xmax = 15  # can specify plotting ranges
>>  set print = "file" # file to be used for plotting, or
>> # pipe directly to printer queue e.g. "|lpr"
>>  set noview # set to skip preview and directly print
>>
>> What I should I change in this script so that I get my desired columns
>> in a single plot?
>>
>> Sincerely
>> *K.C.Bhamu*
>>
>>
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>>
> --
> Peter Blaha
> Inst.Materials Chemistry
> TU Vienna
> Getreidemarkt 9
> A-1060 Vienna
> Austria
> +43-1-5880115671
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Re: [Wien] query regarding opticplot

2015-09-20 Thread Gavin Abo

Example in a bash ($) terminal:

username@computername:~/test$ cat test.joint
#2  Vol = 421.5088774080
#  Energy  [eV] Im_eps_xx  Im_eps_zz
#
  0.0 0.2500E+00 0.E+00
  1.0 0.5000E+00 0.5000E+00
  2.0 0.7500E+00 1.E+00
username@computername:~/test$ cp $WIENROOT/opticplot_lapw opticplot2
username@computername:~/test$ chmod +x opticplot2
username@computername:~/test$ gedit opticplot2
Put a comment (#) in front of "rm $tmp1 $tmp2" on line 280 in 
opticplot2 of WIEN2k 14.2

username@computername:~/test$ sed -n 280p opticplot2
#rm $tmp1 $tmp2
username@computername:~/test$ ./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@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@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@computername:~/test$ gnuplot :opt2

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