Keyword category:

Restart, Special Output

DENOUT

DENOUT — Density matrix will be written to disk in binary format.

Usage

DENOUT

Description

The density matrix at the end of the calculation is dumped in binary form (jobname.den) suitable for input to begin another job. If a calculation stops because the AMPAC time limit is exceeded, DENOUT is invoked automatically.

Abbreviation:

none

Requires:

none

Required by:

none

Implied by:

none

Default value:

none

See also:

OLDENS, DENMAT, RESTART