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Re: Computation of hydrogen adsorption is becoming too slow.

Alex Granovsky
gran@classic.chem.msu.su

Hello,

do you have a sample input file reproducing the problem?

Kind regards,
Alex Granovsky


On Thu Jul 6 '17 8:58am, Siddheshwar Chopra wrote
-------------------------------------------------
>Dear All,
>I am trying to study hydrogen adsorption on a nanocluster (under DFTD). But as I am increasing the number of H2 molecules (infact it is struggling with 2nd molecule itself), it is becoming very slow and almost very difficult to compute. I am using "NONVDW" to avoid optimization collapse.
>Please suggest me what can be done to speed up the computation of such systems.

>Kind Regards,

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