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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