[gpaw-users] Increase range in LR-TDDFT

[Lopez Acevedo Olga]

thanks for the info,
Olga

On May 10, 2010, at 12:23 PM, Michael Walter wrote:

> 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
> 
> 
> -- 
> ------------------------------------------
> Michael Walter  
> Address: Freiburger Materialforschungszentrum
>         Stefan-Meier-Straße 21 
>         D-79104 Freiburg i. Br.
>         Germany
> Tel.: +49 761 203 4758 and +49 761 203 7695
> Fax: +49 761 203 4701
> email: Michael.Walter at fmf.uni-freiburg.de
> www: http://omnibus.uni-freiburg.de/~mw767
> 

*****************************************
Olga LOPEZ-ACEVEDO
NSC and Department of Physics
FI-40014 University of Jyvaskyla Finland
tel: +358 14 260 2503
fax: +358 14 260 4756
lopez at cc.jyu.fi
http://users.jyu.fi/~lopez



-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://listserv.fysik.dtu.dk/pipermail/gpaw-users/attachments/20100510/0f03a4cb/attachment.html