Shortcut: FCCUBIC_FUNC
Module | symfunc |
---|---|
Description | Usage |
Measure how similar the environment around atoms is to that found in a FCC structure. | |
output value | type |
a function that measures the similarity with an fcc environment | matrix |
Input
The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.
Keyword | Type | Description |
---|---|---|
ARG | scalar/vector/matrix | the values input to this function |
Further details and examples
Measure how similar the environment around atoms is to that found in a FCC structure.
\par Examples
Syntax
The following table describes the keywords and options that can be used with this action
Keyword | Type | Default | Description |
---|---|---|---|
ARG | input | none | the values input to this function |
ALPHA | compulsory | 3.0 | The alpha parameter of the angular function |