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Variable-cell optimization may occasionally break the starting
symmetry of the cell. When this happens, the run is stopped because
the number of k-points calculated for the starting configuration may
no longer be suitable. Possible solutions:
- start with a nonsymmetric cell;
- use a symmetry-conserving algorithm: the Wentzcovitch algorithm
(cell dynamics='damp-w') should not break the symmetry.
Paolo Giannozzi
2010-04-08