[gpaw-users] Increase range in LR-TDDFT

[Michael Walter]

Hi Olga,

2010/5/10 Lopez Acevedo Olga <olga.l.lopez-acevedo at jyu.fi>

>
> Hi,
>
> Basically I have a calculation finished with a range of 2 eV excitation
> energy and would like to increase it to 2.5 using as much as possible the
> information from the previous one. I have a quite big system where this
> would be very important to have.
>
> How can I do that?
>
> I cannot find a method LrTDDFT.set  (which I would expect to be the
> equivalent of the gpaw calculator set), there is something called extend but
> not sure if it is finished and works for what I want to do.
>

 you can't do it, it's not implemented. You have to start from scratch.

Michael


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Michael Walter
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