TDDFT absorption spectrum
Posted: Sat May 30, 2015 8:44 pm
i'm doing calculations with TDDFT theory in order to have opticals properties for my perovskite structure,the problem is that in abinit TDDFT out put they give just results of oscillator strengths(average,xx,yy ..) and exitation energies,can any one help me how to use these results for plotting the absorption spectrum?
are there any specific software for doing it?please any help is very importante for me.
best regards.
lilya
PHD student in UMI of morroco
are there any specific software for doing it?please any help is very importante for me.
best regards.
lilya
PHD student in UMI of morroco