Continue with optimization

Started by fgn1986, May 24, 2012, 02:49:22 PM

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fgn1986

 Hi there,

I have a problem with a calculation, because I ran first jobex -energy 7 & and then it said the next step was to calculate the gradient. I did so but the file still says GEO_OPT_RUNNING, and I do not know what to do to finish the calculation and reach convergence.


Any help is well received.


Best regards