Dear Bing,
The multipication factor appears to be too small.
2 4 0.02 # jatom, jtype, size of heavier
plotting
You should put a larger one, i.e.:
2 4 *0.2 * # jatom, jtype, size of heavier plotting
One more point, did you do the following sequence:
x lapw1 -band
x lapw2 -band -qtl
x spaghetti
Indeed, you need a proper case.qtl file to plot the character on the bands.
Regards
Xavier
Le 5/27/2013 1:19 PM, Bing Zhou a écrit :
Dear Xavier,
Many thanks for your help! I changed TiC.insp file as suggested,
however, either "jatom" or "jtype" works at all. I copy the TiC.insp
file as following:
### Figure configuration
5.0 3.0 # paper offset of plot
10.0 15.0 # xsize,ysize [cm]
1.0 4 # major ticks, minor ticks
1.0 1 # character height, font switch
1.1 0 0 # line width, line switch, color switch
### Data configuration
-13.0 8.0 2 # energy range, energy switch
(1:Ry, 2:eV)
1 0.74250 # Fermi switch, Fermi-level (in Ry
units)
1 999 # number of bands for heavier
plotting 1,1
2 4 0.02 # jatom, jtype, size of heavier
plotting
Could you please give me further suggestions/comments?
Best wishes,
Bing
*From:* Rocquefelte <xavier.rocquefe...@cnrs-imn.fr>
*To:* A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at>
*Sent:* Monday, May 27, 2013 4:55:31 PM
*Subject:* Re: [Wien] the parameter "jtype" in case.insp for
bandstructure seems not working
You must also change the line switch.
### Figure configuration
5.0 3.0 # paper offset of plot
10.0 15.0 # xsize,ysize [cm]
0.50 4 # major ticks, minor ticks
1.0 1 # character height, font switch
1.1 *0* 0 # line width,*line switch,* color switch
Line switch:
0...dots
1...lines
2...lines and open circle
3...lines and filled circles
Only the line switch 0, 2 and 3 allows to see the projected characters
(s, p, d...).
Best Regards
Xavier
Le 5/27/2013 5:41 AM, Bing Zhou a écrit :
Dear all,
I try to plot bandstructure for my minerals, and I used TiC as an
example to get myself familar to the procedure, however, not matter
what "jtype" in TiC.insp is, only the total bandstructure was shown
instead of p, s or d states I chose. Could you please let me know how
to make "jtype" work?
Thank you in advance!
Bing
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at <mailto:Wien@zeus.theochem.tuwien.ac.at>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST
at:http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at <mailto:Wien@zeus.theochem.tuwien.ac.at>
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
