[Pw_forum] Help in understanding recursive running of i/p file..

siddheshwar chopra sidhusai at gmail.com
Sat Jun 7 20:17:40 CEST 2014


Dear QE users,
I amm new to QE. I am still at my basics only. I am preparing i/p file fpr
optimizing graphene supercell. Could anyone  tell me what all parameters I
must vary to check its convergence? If I have to run program for multiple
variations in energy/ force cut off/no. Of k points etc. in one single i/p
file, then how do I do it?
Any sample i/p file would be welcomed.

Kind Regards,
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