DENOUT
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Name

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

Synopsis

 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:

DENO

Requires:

none

Default value:

none

See also:

OLDENS, DENMAT, RESTART

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