[Wien] warning in sgroup
LAKDJA Abdelaziz
alakdja at softhome.net
Fri Jul 18 21:23:27 CEST 2003
Dear wien2k Users,
I`a working with GaAs(001)supercell in the zinc-blende structure
containing 36 inequivalent atoms using wien2k_02.
the structure correspond to a tetregonal one (I-4m2).
my (problem) is a warning in the file case.outputsgroup after executing
sgroup (init):
------------------ case.outputsgroup ------------------------------
warning: !!! Bravais lattice has changed.
-------------------------------------------------------------------
Bravais lattice: Orthorombic primitive
a b c
7.81900082 7.81900082 99.51963100
alpha beta gamma
90.00000000 90.00000000 90.00000000
-------------------////--------------------------------------------
as shown above the Bravais lattice is changed to orthorombic P (Pmm2)
and it`s conventional cell is different from that of
the tetragonal one.
my question is: can I ignore this warning?
thank`s in advance!
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