JDFTx  1.7.0
ionic-gaussian-potential

## Syntax:

ionic-gaussian-potential <species> <U0> <sigma> <geometry>


## Description:

Apply external potential and forces to ions of specified <species>. The potential is Gaussian with peak value <U0> Hartrees and standard deviation <sigma> bohrs, and is always centered at the origin. The symmetry of the potential is specified by <geometry>, which may be one of:

• Spherical: The potential is 0-D and confined near the origin.
• Cylindrical: The potential is 1-D and extends along the z-direction.
• Planar: The potential is 2-D and extends in the xy-plane.

Note that the coordinates of the atoms are taken in minimum-image convention for the unit cell centered at the origin for the potential and force calculation. This command is intended primarily for applying perturbations in ionic dynamics.

## Properties:

Requires:     ion

Forbids:     (None)

Allow multiple:    yes

Default:     (None)