Your points (A,B,C) are correct.
The qtl code was contributed by P.Novak, and I would have to dig into
the code to find all details.
For the hexagonal system I'd expect that the hex-y axis coincides with
the cartesian y-axis (at least this is standard WIEN2k convention), and
I guess also in
Dear All,
I am interested in calculating different types of orbital characters.
When calculating a TMDC of 1T type (space group 164) I experience the
following:
(A). When using regular commands (x lapw2 -band -qtl -up/dn -so) I am
having x swapped with z. Perhaps also other things happen, ac
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