[Wien] multiple fatbands plot

Gavin Abo gsabo at crimson.ua.edu
Tue Sep 19 09:32:52 CEST 2017


I forgot, you may be right that WIEN2k can only plot one band character 
at a time.  To plot more than one, you might need to create your own 
plot using a graphing software (like Origin, gnuplot, matlab, etc.) or 
use Spaghetti-primavera.  See the unsupported page for Spaghetti-primavera:


http://susi.theochem.tuwien.ac.at/reg_user/unsupported/


On 9/19/2017 1:14 AM, Wen Fong Goh wrote:
>
> 11 and 12 correspond to dxz and dyz (not quite t2g in cubic sym.). 
> Ideally, I would like to have a fatband for dxz and another (different 
> color) for dyz. What I found is even though line 11 (jatom jtype ...) 
> is repeated, only the last line will be plotted, it can easily be 
> checked by setting the size on the first line to be large.
>
> 2     11    2.0                    # jatom, jtype, size  of heavier 
> plotting
> 2     12    0.2                    # jatom, jtype, size  of heavier 
> plotting
>
>
> For the TiC example in the WIEN2k usersguide, jtype of 6 should 
> correspond to t2g. What is 11 and 12 in your case?  Not sure if 11 or 
> 12 are too high of a number and don't correspond to anything.
>
> The "line switch" might need to be set to 2 in your case.insp and 
> sometimes I think the circle size (size of heavier plotting) of 0.2 
> might be too small to show the fat bands.  You might have to increase 
> it so that it doesn't hide itself as a thin line.
> On 9/18/2017 9:30 PM, Wen Fong Goh wrote:
>
>     Hi, how do you plot multiple fatbands? I tried adding another line
>     in case.insp after jatom jtype ... line but it doesn't work. 2    
>     11    0.2                    # jatom, jtype, size  of heavier
>     plotting 2     12    0.2                    # jatom, jtype, size 
>     of heavier plotting 
>
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