# VCD

Carry out a VCD calculation. [Edit on GitHub]

Subsections

- INTERPOLATOR
- PRINT

## Keywords

- SECTION_PARAMETERS

- DISTRIBUTED_ORIGIN

- LIST_OF_ATOMS

- MAGNETIC_ORIGIN

- MAGNETIC_ORIGIN_REFERENCE

- ORBITAL_CENTER

- ORIGIN_DEPENDENT_MFP

- SPATIAL_ORIGIN

- SPATIAL_ORIGIN_REFERENCE

## Keyword descriptions

SECTION_PARAMETERS: logical = F

  Lone keyword: `T`

  Usage: &VCD T

  controls the activation of the APT/AAT calculation [Edit on GitHub]

DISTRIBUTED_ORIGIN: logical = F

  Aliases: DO_GAUGE

  Lone keyword: `T`

  Usage: DISTRIBUTED_ORIGIN T

  Use the distributed origin (DO) gauge? [Edit on GitHub]

LIST_OF_ATOMS: integer[ ]

  Keyword can be repeated.

  Usage: LIST_OF_ATOMS {integer} {integer} .. {integer}

  Specifies a list of atoms. [Edit on GitHub]

MAGNETIC_ORIGIN: enum = ZERO

  Valid values:

  - `COM` Use Center of Mass

  - `COAC` Use Center of Atomic Charges

  - `USER_DEFINED` Use User-defined Point

  - `ZERO` Use Origin of Coordinate System

  Gauge origin of the magnetic dipole operator. [Edit on GitHub]

MAGNETIC_ORIGIN_REFERENCE: real[3] = [bohr]

  Usage: MAGNETIC_ORIGIN_REFERENCE x y z

  User-defined reference point of the magnetic dipole operator. [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]

ORIGIN_DEPENDENT_MFP: logical = F

  Lone keyword: `T`

  Usage: ORIGIN_DEPENDENT_MFP T

  Use the origin dependent MFP operator. [Edit on GitHub]

SPATIAL_ORIGIN: enum = ZERO

  Valid values:

  - `COM` Use Center of Mass

  - `COAC` Use Center of Atomic Charges

  - `USER_DEFINED` Use User-defined Point

  - `ZERO` Use Origin of Coordinate System

  Gauge origin of the velocity gauge factor/spatial origin. [Edit on GitHub]

SPATIAL_ORIGIN_REFERENCE: real[3] = [bohr]

  Usage: SPATIAL_ORIGIN_REFERENCE x y z

  User-defined reference point of the velocity gauge factor/spatial origin. [Edit on GitHub]