fractional CHARGE

[Xiaoming Wang]

Thanks.

On Thursday, January 4, 2018 at 10:25:46 AM UTC-5, Matt W wrote:
>
> This can't be done at the moment, unfortunately.
>
> On Wednesday, January 3, 2018 at 2:08:55 PM UTC, Xiaoming Wang wrote:
>>
>> Hi,
>>
>> It seems that the parameter CHARGE only accepts integer values. Now, I'd 
>> like to calculate the energy of a periodic system as a function of 
>> factional charge. For self-interaction free functionals, the total energy 
>> curve between two integer charge states should be linear. I want to confirm 
>> this for my case. So is there a way to calculate fractional charged systems?
>>
>> Best,
>> Xiaoming
>>
>
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