Dear Daniele,

Anyway your integrand make senses in the energy range omega=Ec-Ev. So it should be set to the biggest difference between an unoccupied and an occupied state

I understand what you say but just to be very sure :

You mean some thing like this :

- Code: Select all
`% EnRngeXd`

0.000 | (Ec-Ev) | eV # [Xd] Energy range

%

or

- Code: Select all
`% EnRngeXd`

-Ec | Ev | eV # [Xd] Energy range

%

Because i am interested in accurate bse spectra for transition metal oxides (ZnO, CdO) i am not sure pp model can be reliable.

By the way you have to know the frequencies before hand at which you calculate Epsilon. But i do not know these frequencies.

For me it's enough to have convergence in 2 digits in real axis calculation for quasi particle energies.

I tested p2y interface for some norm conserving pseudo potentials from QE-data base but for most of them i get segmentation error when running ./p2y -S -N.

Is p2y version 5 only compatible for small type of norm conserving pseudo potentials?

I also face another problem :

When running yambo on a cluster consisting of 24 Processors, the calculations are nearly as fast as when running yambo on my 8 Processor notebook.

Is there any saturation effect beyond 8 Processors ?

Bests

Martin