'GEOMETRY wrong or EMAX_SPLINE too small': can anyone help me to solve?

[Enlong Liu]

I see. I will try again, thank you!

Best regards,


在 2014年3月5日星期三UTC+1下午1时17分27秒，Matt W写道：
>
> You've got your box size wrong (or you include too many atoms). There are 
> atoms at x and x + L in your coordinate file, where L is the box length.
>
> Matt
>
> On Wednesday, March 5, 2014 12:12:01 PM UTC, Enlong Liu wrote:
>>
>> Dear fellows,
>>
>> I want to do a cell_opt to bulk-like Ag metal. But the program shows 
>> 'GEOMETRY wrong or EMAX_SPLINE too small' every time. The structure of Ag I 
>> use can be shown normally in VMD, so what other possibilities can it be for 
>> this kind of error? 
>>
>> Thanks a lot for your help!
>>
>> PS: the input file and xyz file of Ag is in the attachment.
>>
>> Best regards,
>>
>
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