[Pw_forum] parameteres of quantum dots

[pablohi]

Dear Quantum Espresso

I want to simulate the energies spectrum of CdSe Quantum Dots, and I 
have used the following parameters system parameters:

&system
     ibrav = 0, nat= 79, ntyp= 3,
     ecutwfc = 25.0,ecutrho = 100.0,
     report=1,
     occupations='smearing', smearing='marzari-vanderbilt', degauss=0.05
     noncolin = .true.
     starting_magnetization(1) = 0.5
     angle1(1) = 90.0
     angle2(1) =  0.0

I need to know if there are other parameters that are more appropiate.

Thanks in advance

Pablo Hidalgo Romera