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

[pabel]

Dear Quantum Espresso's team.

I am trying to obtain the oscillator strenght matrix element <n,k| exp(i(q+K)·r) |l,k+q> when q->0 using ultrasoft pseudopotentials, but I can not obtain the term [Vnl,r] 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190610/a769a400/attachment.html>