The CP2K project : input section POTENTIAL

Section POTENTIAL

Index of all sections. This section is located at __ROOT__%ATOM%POTENTIAL.

Section of information on potential. This section can not be repeated and can be optional.

Subsections

Section keywords

Keyword descriptions

CONFINEMENT
CONFINEMENT prefactor range exponent
Definition of confinement potential
This optional keyword expects a list of reals. Default value: 0.0000000000000000E+00 4.0000000000000000E+00 2.0000000000000000E+00
PSEUDO_TYPE
PSEUDO_TYPE GTH
Pseudopotential type
This optional keyword expects a keyword. Default value: NONE
valid keywords: NONE, GTH
POTENTIAL_FILE_NAME
POTENTIAL_FILE_NAME
Name of the pseudo potential file, may include a path
This optional keyword expects a string. Default value: POTENTIAL
POTENTIAL_NAME
POTENTIAL_NAME
The name of the pseudopotential for the defined kind.
This optional keyword expects a word. Default value: " "
variants: POT_NAME


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