Forcing DFT closed-shell calculation
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1:02:43 PM PST - Fri, Jan 25th 2013
Quote:Bert
Jan 24th 4:28 pm
Domingos,
That's a feature of persistent data that needs to be addressed. You can try the following:
unset dft:*
You should put this before the second dft input block.
Bert
Thanks Bert, that worked for me!