[gpaw-users] Efficiency of LCAO vs. FD
Miguel Caro
miguel.caro at aalto.fi
Tue Nov 1 13:41:26 CET 2016
Hi all,
I was wondering if there is any (more or less) comprehensive comparison
between the performance of LCAO mode versus finite-difference mode, and
perhaps the effect of different parallel options on performance (e.g.
ScaLAPACK). I am thinking for example about a graph where CPU timings
for LCAO and FD are plotted together as a function of system size. I
would be very grateful if you could point me towards this kind of resource.
Many thanks,
Miguel
--
*Dr. Miguel Caro*
/Postdoctoral researcher/
Department of Electrical Engineering and Automation,
and COMP Centre of Excellence in Computational Nanoscience
Aalto University, Finland
Personal email: *mcaroba at gmail.com*
Work: *miguel.caro at aalto.fi*
Website: http://mcaroba.dyndns.org
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