The CP2K project : input section ISOLATED_ATOMS
Section
ISOLATED_ATOMS
Index of all sections
. This section is located at
__ROOT__
%
FORCE_EVAL
%
SUBSYS
%
TOPOLOGY
%
GENERATE
%
ISOLATED_ATOMS
.
This section specifies the atoms that one considers isolated. Useful when present ions in solution. This section can not be repeated and can not be optional.
Subsections
None
Section keywords
LIST
Keyword descriptions
LIST
LIST {integer}
Specifies a list of atomic indexes of the isolated ion
This required keyword expects a list of integers, and may repeat
Back to the
CP2K homepage
or the latest version of
this manual