[Wien] the parameters "jatom" and "jtype" in case.insp for bandstructure seem not working

[Rocquefelte]

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.rocquefelte at cnrs-imn.fr>
> *To:* A Mailing list for WIEN2k users <wien at 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
>>
>>
>>
>>
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>
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