Keyword category:

Properties

MPGCRT

MPGCRT — Use specified value as tolerance to compute molecular point group.

Usage

MPGCRT=x.x

Description

Specification of the proper tolerance using this keyword will allow the user some control over the final molecular point group used to compute the irreducible representations of the molecular orbitals.

Abbreviation:

none

Requires:

none

Required by:

none

Default value:

0.1

See also:

MPG