Dear QE community,

I am looking for a way to get a rough estimate of the time for a relaxation of 
a 64 atoms unit cell based on the time that takes a 8 atom unit cell of the 
same system. I am supposed to request for an allocation in the cluster and for 
my project will need to relax several unit cells of that size.

I am aware of the formula in the documentation to estimate the SCF calculations 
but I though there might be tips for the relaxation. My initial try was to 
relax the 64 unit cell for a few hours and estimate it by comparing to the 
small one, but I am not sure how.


Regards and Thank you!.


Tomas R

Ohio University
_______________________________________________
Pw_forum mailing list
Pw_forum@pwscf.org
http://pwscf.org/mailman/listinfo/pw_forum

Reply via email to