[Pw_forum] performance of occupation='fixed' and ='smearing'
shypirate
shypirate at gmail.com
Thu Sep 10 05:03:47 CEST 2009
Dear all:
When I use pw.x, I find that performance of different occupations are different. If I set occupation='smearing', it takes about 6 minutes for one diagonalization step, but 24 minutes for occupation='fixed'. I have set the same "nbnd" and "K_POINTS" for both. My question is, why is the performance difference?
Best Wishes,
Y.P.Wang
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090910/85f2e1b5/attachment.html>
More information about the users
mailing list