[Pw_forum] PRoblem in reporting the Relaxed coordinates

meysam pazoki meysam.pazoki at gmail.com
Sat Apr 9 19:22:39 CEST 2016


Dear Quantum Espresso Users!

My relaxation calculation(relax) is finished successfully,
But, I cant read the relaxed coordinates for one the atoms in the scf.out
file. It appears like this in the output file:
Ti  *******   ********  22.345
CAn you comment on that how can i have the relaxed coordinates for this
atom?
I have a constraint for this atom.

My Best Regards
/Meysam
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