Vacuum level for charged systems

Nuri Yazdani nuri.a.... at gmail.com
Thu Feb 2 18:07:01 UTC 2017


Hi Matt,
Thanks for the quick reply!
I had done this first thing when the calculation had finished, but the 
problem was that the vacuum level I extracted depended on the direction of 
r!!! This confused me alot, and I thought there was some weird passivation 
going on... But thanks to your reply, I realized the error of my ways:
I had set PERIODIC NONE in the cell section, and assumed the POISSON would 
then also be set to PERIODIC NONE, but indeed, one must set the periodicity 
in both the CELL and POISSON section...  
Cheers,
NUri
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