counter charge

Jun chen... at googlemail.com
Thu Apr 9 13:47:21 UTC 2009


Hi all,

I want to calculate a system with a net charge. I know cp2k will
automatically apply a homogeneous neutralizing background charge with
opposite sign in the simulation cell. Is it possible in cp2k to define
an area with any shape (e.g. sheet or slab) in which the counter
charge is evenly dispersed? Or any other way to do this?
Many thanks, and happy Easter holiday.

Jun


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