Dear Iurii,
Thank you very much for your reply.
If the metal system is optimized first (vc-relax), then scf, lanczos.x and
spectrum.x. The absorption spectrum calculated at this point is not the
absorption spectrum of the metal, right? Because the metal has relaxed into a
nonmetallic state. Is that right? If I want to use Quantum espresso to
calculate the absorption spectrum of a metal are there any other modules or
methods? I am very much looking forward to your reply.
Yours sincerely,
Yuwei Ma.
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