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Dear all, I want to calculate the dielectric tensor at an heteroepitaxial semiconductor interface (IF) GaP on Si. But first of all, I'd like to explain my procedure: *I run a ground state (GS) calculation of that IF, realized by a multilayer modelling (...si-layers--gap-layers--si-layers--gap-layer....

Hello sand7000,

I have the same problem using prtdos 3 (value must be >=6).
Did you get to know the cause of the problem in the meantime?

If yes, could you give me some hint how to solve the problem?

Thanks in advance,

Gabi