JDFTx  1.7.0


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


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.


Requires:     ion

Forbids:     (None)

Allow multiple:    yes

Default:     (None)

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