GCN

Allow to specify the generalized coordination number of the atoms. Those numbers msust be generated by another program [Edit on GitHub]

Keywords

• DEFAULT_KEYWORD

Keyword descriptions

DEFAULT_KEYWORD: real = 0.00000000E+000

Keyword can be repeated.

Usage: {Real}

Value of the GCN for the individual atom. Order MUST reflect the one specified for the geometry. [Edit on GitHub]