CELL_OPT convergence issues (energy unstable becomes positive)

Matt W mattwa... at gmail.com
Wed Jun 7 20:43:38 UTC 2017

I could only guess it is numerics, unless there is something funny with 
your system.

Try decreasing EPS_DEFAULT to 10^-12 or 10^-14 ?


On Wednesday, June 7, 2017 at 4:03:19 PM UTC+1, illida... at gmail.com 
> Hi Everyone,
> Any ideas because I'm really stuck on this one? 
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