[Wien] Format of the case.klist and case.energy files

[Alex Hristov]

Dear Wien users,

I am running Wien2K for SCF calculations on URu2Si2. After completing SCF
calculations, I would like to run LAPW1 and LAPW2 and then export the
case.energy and case.output1/output2 files into another program in which I
could do analysis on the energy eigenvalues. However, as I am writing the
code to do this, I am unable to understand some of the formatting of the
Wien2k output files. Any help would be greatly appreciated:

First, when I run Kgen, the output case.klist file will only list a fraction
of the points.For examples:
         1         1         1         1        10  8.0 -7.0  1.5      1000
k, div: ( 10 10 10)
         2         2         2         1        10  8.0
         3         3         3         1        10  8.0
...
        99        10         9        10        10  4.0
END


These integers are later replaced by decimals in case.output1. It appears
that the process for this is to divide the elements in columns 2-4 by the
element in column 5.  But can anyone tell me what the remaining column
(8.0,8.0,...,4.0) and two entries(-7,1.5) are for? I have been unable to
find this in the manual and in the archives.

Secondly, it seems that .klist entries have the equivalence x,1+x, 1-x. Thus
the points .2,.2,.2 ; .2,.2,.8 ; and .2,.2,1.2  will never appear together.
Can anyone confirm this?


Thank you all,
Alexander Hristov
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