[Wien] new optimization scheme

[Lyudmila V. Dobysheva]

Thank you, dear Laurence and Peter.

> In the case you gave there is nothing fixing the origin naturally
> along the z axis (I suspect). 

Yes, and the cell really seems to move freely during the process. I see which 
atom to pin.

Do I understand correctly:
If there exists a force in :FSUM (:FCHECK), it means that we should pin the 
cell in this direction.
The line "Note: symmetry trapping" means only absence of inversion.

Best regards
  Lyudmila Dobysheva 
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