[Pw_forum] relaxation doesn't keep the Wyckoff relation between related atoms.

mayank gupta mayankaditya at gmail.com
Mon May 16 06:58:06 CEST 2011

Dear PWscf User's

I have relaxed my structure but the relaxed atomic positions are not
related by  wycoff relations, their third decimal places has been
changed. While in some atoms even second decimal places changed. Is
their any thing by which I can relax the structure while keeping
symmetry constrains.



BARC, India

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