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[Xenophon Krokidis <Xenophon.Krokidis@scienomics.com>]

Dear Xueping Jiang,

are you sure that the structure you gave is that of styrene ?  I would 
expect a system with space group 60 (Pbcn), in this structure I 
visualize only one styrene like structure with periodic conditions 
placing two hydrogens to close together (atom 11 and atom 14).

Regards,

Xenophon

jiangx3@rpi.edu wrote:
> Dear all,
>
> I am doing the optimization of styrene and it comes out that the gradient 
> is hard to converge. I am wondering why that happens. If anyone has some
> suggestion about this, would you please tell me? Thanks in advance!
>
>
> Best regards,
> Xueping Jiang
>
>
>
>
>
>
>   
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