add_force
¶
This keyword is used to add force on atoms in a selected group at each step during a run.
Syntax¶
This keyword is used in one of the following two ways:
add_force <group_method> <group_id> <Fx> <Fy> <Fz> # usage 1
add_force <group_method> <group_id> <add_force_file> # usage 2
Force is added to atoms in group
group_id
of group methodgroup_method
.In the first usage, the constant force with components
Fx
,Fy
, andFz
is added on each selected atom.In the second usage, a series of forces specified in the file
add_force_file
will be periodically added on each selected atom.Force is in units of eV/Å.
Example 1¶
Add a constant force of 0.1 eV/Å in the x direction on atoms in group 1 of group method 2:
add_force 2 1 0.1 0 0
Example 2¶
Add force on atoms in group 2 of group method 0, where the file add_force.txt
contains a number of rows of 3 values specifying a sequence of force vectors to be periodically applied during the run:
add_force 0 2 add_force.txt
Note¶
This keyword can be used multiple times during a run.