[QE-users] Crystal structure changes while doing vc-relax calculation.

[Husak Michal]

Suggestion:

Try to describe your system by the help of
crystal_sg  and correct space gropu nuber (space_group)
Correct ibrav will be generated automatically , no need to eneter ...

And you will need to ente ronly the symmetry idedpendent atoms = less mistakes.

And you do not risk QE will fidn and made rstrains to other symetry than you have in mind ...

Michal Husak