[DFTB-Plus-User] Fractionally occupied states not currently supported for range separated linear response excitations

[Ben Hourahine]

Hello Toufik,

if you can get self consistency at zero (or low) electron temperature,
then that may allow you to proceed. (assuming this is not a conical
intersection).

Regards

Ben

On 09/11/2020 16:31, Bálint Aradi wrote:
> Dear Toufik,
>
>> I am calculating excited states including rang separated hybrid
>> functional. But I am getting the following error:
>> "Fractionally occupied states not currently supported for range
>> separated linear response excitations"
>> Could you help with this isuue
> We don't have that feature implemented yet. We hope to have it in one of
> the releases next year, but as always it strongly depends on the
> availabilty of human resources.
>
>   Best regards,
>
>   Bálint
>
>
>
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        Dr.  B.  Hourahine,  Senior  lecturer
            SUPA, Department  of  Physics,
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