[DFTB-Plus-User] optimization

[Ben Hourahine]

Hello 张海兵,

can you give some detail? You don't specify what the problem is, did the
SCC not converge or the geometry optimization not complete, or ...?

Regards

Ben

On 22/06/2019 15:05, 张海兵 wrote:
>
> Hello DFTB:
>
>  I met a problem of optimization, The MaxSCCIterations have 
>
> been set as 5000. I hope some useful advices.
>
> Thanks！
>
>
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            SUPA, Department  of  Physics,
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