TS optimisation with hdlc-opt

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helloworld
TS optimisation with hdlc-opt

Hi,

I am getting this error for my TS optimization job when submitted using hdlc-opt.
I am using chemshell with orca.
What can I do to solve this error ?
---------------------------------------------------------------------------------------------
exit -3
********************************************************************************
Optimization failed (error code -3)
********************************************************************************

Thank you

tomkeal
tomkeal's picture
TS optimisation with hdlc-opt

Hi,

I would strongly recommend not to use HDLCOpt as this an obsolete and deprecated module. The supported optimiser is DL-FIND: http://www.cse.scitech.ac.uk/ccg/software/chemshell/manual/dlfind.html

Best wishes,

Tom

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