Name

ENPART — Energy will be partitioned into components.

Synopsis

 ENPART 

Description

The total energy (in eV) obtained by the addition of the electronic and nuclear terms is partitioned into discrete mono- and bicentric contributions. These contributions are further divided into nuclear, one-, and two-electron terms. The results will be stored in the .vis file unless VIS=MIN is present.

Abbreviation:

ENPA

Requires:

none

Default value:

none