JDFTx  1.2.1
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ion

Syntax:

ion <species-id> <x0> <x1> <x2> <moveScale> [<constraint type>=HyperPlane|Linear|None|Planar <d0> <d1> <d2>]

Description:

Add an atom of species <species-id> at coordinates (<x0>,<x1>,<x2>).

<moveScale> preconditions the motion of this ion (set 0 to hold fixed)

In addition, the ion may be constrained to a line or a plane with line direction or plane normal equal to (<d0>,<d1>,<d2>) in the coordinate system selected by command coords-type. Note that the constraints must be consistent with respect to symmetries (if enabled).

Properties:

Requires:     coords-type     ion-species     latt-scale

Forbids:     ion-vel

Allow multiple:    yes

Default:     (None)

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