[Wien] The number of bands is less than what I want

[Xavier Rocquefelte]

Dear Bingrui Peng

What are the eigenvalues and how many bands do you have in the valence 
states.

When you did "x lapw1 -band" what was the energy range of your calculation.

Look at the case.output1 file, it contains the eigenvalues for each 
k-points. You will then see the number of bands and energy range.

Cheers

Xavier


Le 15/07/2017 à 12:57, Peng Bingrui a écrit :
> Dear wien2k community
>
> I'm running WIEN2K of 13 version on Linux system.
>
> My case.insp is like this:
> -------------------------------------------------------------------------------------------------------------------------------
> ### 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   2    4                          # line width, line switch, 
> color switch
> ### Data configuration
> -14.0  28.0  2                      # energy range, energy switch 
> (1:Ry, 2:eV)
> 1      0.6847884066            # Fermi switch,  Fermi-level (in Ry units)
> 1      99                               # number of bands for heavier 
> plotting   1,1
> 0      1    1.0                        # jatom, jtype, size  of 
> heavier plotting
> -------------------------------------------------------------------------------------------------------------------------------
>
> I want to get 99 bands plotted, but there are only 80 bands shown when 
> I open case.bands.agr. And note that although I set the energy range 
> to be (-14.0, 28.0) , the highest band, is below 12.0 eV, which is 
> much lower than 28.0 eV. What should I do to get more bands ?
>
> Thank you very much for your attention.
>
> Sincerely yours,
> Bingrui Peng
> from the Department of Physics, Nanjing University,
> China
>
>
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