# POTENTIAL

Section of information on potential. [Edit on GitHub]

Subsections

- ECP
- GTH_POTENTIAL

## Keywords

- CONFINEMENT

- CONFINEMENT_TYPE

- POTENTIAL_FILE_NAME

- POTENTIAL_NAME

- PSEUDO_TYPE

## Keyword descriptions

CONFINEMENT: real[ ] = 0.00000000E+000 0.00000000E+000 0.00000000E+000

  Usage: CONFINEMENT prefactor range exponent (POLYNOM) CONFINEMENT prefactor range r_onset (BARRIER)

  Definition of parameters for confinement potential (a,b,c) [Edit on GitHub]

CONFINEMENT_TYPE: enum = POLYNOM

  Usage: CONFINEMENT_TYPE (NONE|POLYNOM|BARRIER)

  Valid values:

  - `NONE` Do not use confinement potential

  - `POLYNOM` Use polynomial confinement potential: a*(R/b)^c

  - `BARRIER` Use a smooth barrier potential: a*F[R-c)/b]

  Define functional form of confinement potential. [Edit on GitHub]

POTENTIAL_FILE_NAME: string = POTENTIAL

  Usage: POTENTIAL_FILE_NAME <FILENAME>

  Name of the pseudo potential file, may include a path [Edit on GitHub]

POTENTIAL_NAME: string

  Aliases: POT_NAME

  Usage: POTENTIAL_NAME

  The name of the pseudopotential for the defined kind. [Edit on GitHub]

PSEUDO_TYPE: enum = NONE

  Usage: PSEUDO_TYPE (NONE|GTH|UPF|ECP)

  Valid values:

  - `NONE` Do not use pseudopotentials

  - `GTH` Use Goedecker-Teter-Hutter pseudopotentials

  - `UPF` Use UPF norm-conserving pseudopotentials

  - `SGP` Use SGP norm-conserving pseudopotentials

  - `ECP` Use ECP semi-local pseudopotentials

  Pseudopotential type [Edit on GitHub]