[Pw_forum] Does number of atoms change after optimization
Madhurya Chandel
madhurya.svnit at gmail.com
Mon Dec 25 12:33:23 CET 2017
Dear QE users
I have a small doubt that after optimization (relax) does the number of
atoms change?
Because in my case its happening.
For the reference, I am attaching the input and output images of the unit
cell.
Please have a look.
With regards
*Madhurya Chandel*
*Research Scholar *
*Department of Chemistry *
*BITS PILANI, GOA campus*
*+91-7507546773*
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