[QE-users] Information about non-local part of pseudopotentials

[pabel]

Dear Quantum Espresso's community.

I am performing an in-house code to obtain the static dielectric constant when q->0 using ultrasoft pseudopotentials, but I can not obtain the term<n,k| [Vnl,r] |l,k+q> of the oscillator strength matrix element <n,k| exp(i(q+K)·r) |l,k+q>, because I do not know how to extract this information from the calculations. The question is: ¿Where can I find the information about the non-local part of the pseudopotential from calculations using Quantum Espresso? or ¿Can I obtain this information directly from the .UPF file?

Best regards,

M. Sc. Pábel Machado


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