Warning & Error ?

[Marco]

You can use the Mulliken-based method:

PLUS_U_METHOD MULLIKEN


On Tuesday, December 23, 2014 at 9:08:59 PM UTC-5, Linus.Xing 邢登辉 wrote:
>
> Oh.no> I am doing the geometry optimization. How to deal with this problem 
> ?
>
>
>
> On Tuesday, December 23, 2014 11:56:03 PM UTC+8, Samuel Andermatt wrote:
>>
>> It means that your forces will not be correct. As long as you just 
>> calculate energies you should be fine, but you cannot do molecular dynamics 
>> or geometry optimization.
>>
>>
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