restart the optimization


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Forum Vet
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