[Wien] how to set a particular sequence of k-path

[Peter Blaha]

You put all your k-points into case.klist_band (or let xcrysden do it 
for you.

The you run the bandstructure task in w2web or from the command line:

x lapw1 -band
x spaghetti   (it creates case.insp if not present)
edit case.insp  and put EF into it. Also select lines/dots/color,...)
x spaghetti
It produces a plot   case.sphaghetti_ps with vertical lines.
Alternatively, you can use xmgrace to plot the agr file (also with 
vertical lines).

If you really want to use case.spaghetti_ene and plot it with gnuplot, 
you have to write it yourself. But I would hardly know why you want to 
do this.

Am 16.10.2020 um 17:57 schrieb fatima DFT:
> Dear Sir
> How I can choose k-path like below
> Γ—X|Y—Γ—Z|R—Γ—T|U—Γ—V
> 
> I mean the vertical lines.
> 
> I got all the points in BZ but I am wondering how these vertical lines 
> are defined.
> 
> Thank you very much
> 
> Fatima
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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