restart the optimization
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Forum Vet
9:30:38 AM PDT - Wed, Aug 28th 2013
Karteek,
The restart input file should just contains three line:
memory, restart and task. For example
memory 550 mb restart h2o task dft optimize
If you simply change
start
to
restart
in a complete input file,
all the steps will be processed again.
http://nwchemgit.github.io/index.php/Release62:Top-level#START_.2F_RESTART
Cheers, Edo