STRESS_TENSOR Convergence Issue
Sebastian Hütter
sebastia... at ovgu.de
Mon Oct 17 15:09:21 UTC 2016
Hello Matt,
I believe I took this epsilon from one of the static energy examples, but
it appears that I cannot find the source anymore. Hm.
New calculations with NREP 3, EPS_DEFAULT 1E-10 are running currently and
while I now have a very asymmetric behaviour between compression and
tension (I calculate both sides and average), results appear sane for now.
Is there a rule of thumb how many cells I will need for good results? In
theory it's xyz-periodic anyway, but I understand in order to get fine
enough grids I need a somewhat larger volume. In the mean time, I have also
added CELL_REF statements with the unmodified cell to be sure there is no
change between calculations there.
Thanks,
Sebastian
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