[Wien] format of case.klist_band

[Peter Blaha]

The 8.0 is the "weight" of the k-point. However, it is used only in 
lapw2 when integrating over the BZ using ROOT or TEMP(s)  (not for 
TETRA). Thus it is not really used in case.klist_band, because with such 
a k-mesh you would not integrate over the BZ.

The energy range emin emax (-0.5  1.5) is also not used anymore. (It is 
read from case.in1 now.



Am 08.10.2020 um 11:26 schrieb Marcus Ekholm:
> Dear all,
> 
> I cannot find any info on the format of the case.klist_band file.
> 
> For example, the first line of the template simple_cubic.klist:
> 
> R            20   20   20   40  8.0 -0.5  1.5      simple cubic  template
> 
> What is the meaning of 8.0 -0.5 1.5?
> 
> With best regards
> 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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