[Pw_forum] Questions about ionic & cell relaxation.

Hongbin Zhang h.zhang at ifw-dresden.de
Thu Jan 17 22:26:16 CET 2008

Dear all pwscf users,

I want to do some ionic relaxations, but there's one question unclear:

Will the relaxation lower the original symmetry?

The reason why I ask this is that I want to optimize the cell and ionic
positions with some constraints, say, to keep the mirror symmetry along
z direction of the unit cell.

Any suggestion and comment are welcome. Thank you in advance.

Best wishes,

Hongbin Zhang

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