[Pw_forum] vc-relax with BFGS

Srijan Kumar Saha srijan.india at gmail.com
Mon Feb 14 20:21:53 CET 2011


   Dear Gabriele,

   > Another solution would be to use the final celldm(1) and rescale the
atomic positions.

   I did not rescale the atomic positions simply thinking that it has been
already done by QE.
   Sorry for this.
   After rescaling, symmetry is OK. Thank you very much once again.

   With best regards,
   Srijan K.
   CCMT
   Indian Institute of Science
   India 560012
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