[Wien] problem with fdd2 symmetry group

[antia sanchez]

Dear WIEN2k users,

According to the Bilbao crystallographic server data, the rotational matrix
which transforms the coordinates (a,b,c) given in the fd2d setting to the
fdd2 (standard) one is:
(0  0  1)(1  0  0)
(0  1  0)

Hence, (a, b, c)(fd2d) transforms to --> (c, a, b)(fdd2).

I've introduced an atomic structure given in the fd2d setting using the
StructGen and I've initialized the calculation. When sgroup and symmetry are
run, the setting that the code appears to want is the standard one. The
point is that, observing the initial and final lattice parameters, a
different matrix seems to be used for the symmetry operation as: (a, b,
c)(fd2d) is transformed to --> (a, c, b)(fdd2).

Does anybody know why WIEN2k does this?.

Regards,

P.S. I am using the WIEN2k 8.3 version.
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