What is the reference point for the zero of energy?

zh vale... at gmail.com
Thu Jun 24 03:37:55 CEST 2010


Dear all,

When "PERIODIC" and "POISSON_SOLVER" are specified with "XYZ" and
"PERIODIC", what is the reference point for the zero of energy (i.e.,
eigenvalue or electrostatic potential)?  For a system contains vacuum,
is the electrostatic potential in the vacuum region  set as zero in
CP2K? Thanks for your help.

Best regards
Zh


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