dft optimize failed

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Threads 9
Posts 1578
11:20:11 AM PDT - Tue, Aug 14th 2012
Please add "clear" to the driver section
Yudong,
Since Hessian that were left from previous runs might be causing your problem,
please add the clear keyword to the driver section, e.g.

driver

 clear

 tight

 maxiter 200

 xyz final

end


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