Hi Dahbia, This information doesn't get written out (because generally there is a lot of it). To make SIESTA write it out, you will have to edit optical.F. The relevant code is between lines ~590 through to ~640. The bands are numbered ie = initial band, je = final band. The energy of the transition is stored in ediff, and the transition probability is T.
Hope this helps, Regards, Marty 2009/1/13 Dahbia Ammi <m_dah...@yahoo.fr> > Dear SIESTA users, > > Is there someone who can tell me how to find the transition bands? For > example: if I find absorption peak corresponding to a transition from band s > to band p. In what file, I can find that the transition corresponding to > these bands? > > > Thanks before > > > > > >
