please help me

[smzhe... at imr.ac.cn]

Thankyou! it works, i reset the coord and parameters. 
在 2016年1月28日星期四 UTC+8上午9:47:38，smzh... at imr.ac.cn写道：
>
> OH,thankyou for suggestion and kindness, I will try to figure it out and 
> if there is an outcome i will post here. Thankyou again.
>
> 在 2016年1月26日星期二 UTC+8下午5:12:18，Samuel Andermatt写道：
>>
>> Well, I don't know what is causing the error, but given that you place 
>> metal ions less than 1 angstrom from each other something seems rather 
>> wrong with the geometry. If you want further help provide the data I 
>> requested before.
>>
>
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