[gpaw-users] Increase range in LR-TDDFT

[Lopez Acevedo Olga]

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.
 
Thanks,

Olga




*****************************************
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