# CURRENT

References: Sebastiani2001, Weber2009

The induced current density is calculated by DFPT. [Edit on GitHub]

Subsections

- INTERPOLATOR
- PRINT

## Keywords

- SECTION_PARAMETERS

- CHI_PBC

- COMMON_CENTER

- FORCE_NO_FULL

- GAUGE

- GAUGE_ATOM_RADIUS

- NBOX

- ORBITAL_CENTER

- RESTART_CURRENT

- SELECTED_STATES_ATOM_RADIUS

- SELECTED_STATES_ON_ATOM_LIST

- USE_OLD_GAUGE_ATOM

## Keyword descriptions

SECTION_PARAMETERS: logical = F

  Lone keyword: `T`

  Usage: &CURRENT T

  controls the activation of the induced current calculation [Edit on GitHub]

CHI_PBC: logical = F

  Lone keyword: `T`

  Usage: CHI_PBC T

  Calculate the succeptibility correction to the shift with PBC [Edit on GitHub]

COMMON_CENTER: real[3] = 0.00000000E+000 0.00000000E+000 0.00000000E+000 [angstrom]

  Usage: COMMON_CENTER 0.0 1.0 0.0

  The common center [Edit on GitHub]

FORCE_NO_FULL: logical = F

  Lone keyword: `T`

  Usage: FORCE_NO_FULL T

  Avoid the calculation of the state dependent perturbation term, even if the orbital centers are set at Wannier centers or at Atom centers [Edit on GitHub]

GAUGE: enum = R_AND_STEP_FUNCTION

  Usage: GAUGE R

  Valid values:

  - `R` Position gauge (doesnt work well).

  - `R_AND_STEP_FUNCTION` Position and step function for the soft and the local parts, respectively.

  - `ATOM` Atoms.

  The gauge used to compute the induced current within GAPW. [Edit on GitHub]

GAUGE_ATOM_RADIUS: real = 4.00000000E+000 [angstrom]

  Usage: GAUGE_ATOM_RADIUS 10.0

  Build the gauge=atom using only the atoms within this radius. [Edit on GitHub]

NBOX: integer[3] = 4 4 4

  Usage: NBOX 6 6 5

  How many boxes along each directions [Edit on GitHub]

ORBITAL_CENTER: enum = WANNIER

  Usage: ORBITAL_CENTER WANNIER

  Valid values:

  - `WANNIER` Use the Wannier centers.

  - `COMMON` Use a common center (works only for an isolate molecule).

  - `ATOM` Use the atoms as center.

  - `BOX` Boxing.

  The orbital center. [Edit on GitHub]

RESTART_CURRENT: logical = F

  Lone keyword: `T`

  Usage: RESTART_CURRENT

  Restart the induced current density calculation from a previous run (not working yet). [Edit on GitHub]

SELECTED_STATES_ATOM_RADIUS: real = 4.00000000E+000 [angstrom]

  Usage: SELECTED_STATES_ATOM_RADIUS 2.0

  Select all the states included in the given radius around each atoms in SELECTED_STATES_ON_ATOM_LIST. [Edit on GitHub]

SELECTED_STATES_ON_ATOM_LIST: integer[ ]

  Keyword can be repeated.

  Usage: SELECTED_STATES_ON_ATOM_LIST 1 2 10

  Indexes of the atoms for selecting the states to be used for the response calculations. [Edit on GitHub]

USE_OLD_GAUGE_ATOM: logical = T

  Lone keyword: `T`

  Usage: USE_OLD_GAUGE_ATOM T

  Use the old way to compute the gauge. [Edit on GitHub]