Symmetry determination confusion

[terencelz]

Hi all,

I'm doing some calculations on a tetragonal cell, with some ions rotated along c axis inside of it. It should break some symmetry from the highest of its type. I got this result from OUTCAR:

++++++++++++++++++++++++++
Routine SETGRP: Setting up the symmetry group for a
simple tetragonal supercell.


Subroutine GETGRP returns: Found 16 space group operations
(whereof 8 operations were pure point group operations)
out of a pool of 16 trial point group operations.


The static configuration has the point symmetry C_4h.
The point group associated with its full space group is D_4h.
++++++++++++++++++++++++++

The dynamic part goes the same.

Question is, in this case, what is the point group symmetry of the cell, and which does the symmetrization of VASP follow to relax the ions? And, am I able to know the space group of it, for the easy comparison with experiment?

Thanks

[support_vasp]

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