Energy of atomic oxgyen and smearing

Natalie Austin natalie... at gmail.com
Thu Jul 14 20:40:37 UTC 2016


Hello Matthias,

Thank you for your help.  
I noticed in my previous calculations containing Cu based nanoparticles 
that I didn't see an energetic difference between using periodic none and 
periodic xyz (the default) in the POISSON section, but regardless moving on 
I will be sure to specify NONE for my isolated systems.
I had a feeling that increasing the CUTOFF would have helped. I will keep 
your advice in mind for future calculations. Thank you again.


Natalie
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