[Pw_forum] vc-relax with BFGS

Srijan Kumar Saha srijan.india at gmail.com
Mon Feb 14 15:54:03 CET 2011

Dear Gabriele,

Thank you very much for your kind reply.

> Where did you get this information from? Was it printed by the code?
I never saw a printout of the "Final symmetry", but maybe I am wrong
and the code computes and prints it. Which version of the code are you

I am using the 4.2 version of the QE code and I have obtained the Final
simply feeding back the final positions and final cell parameters in a brand
new relax calculation.
Then, in the beginning of this new run, the QE prints the symmetry again.
Moreover, I have cross-checked the above symmetry with another symmetry tool
called ISOTROPY.

Thanks and regards,
Srijan K.
Indian Institute of Science
India 560012
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