[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160409/c776b78e/attachment.html>
More information about the users
mailing list