MPGCRT
Prev  Appendix A. Keyword Reference  Next

Name

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

Synopsis

 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

Default value:

0.1

See also:

MPG

Copyright © 1992-2013 Semichem, Inc. All rights reserved.
Prev  Up  Next
MPG  Home  MSCHARG