Hello, I am new to pwscf. I have been looking at example25, and I am confused because the README does not seem to correspond to the reference output files, or my results. For example, how does one conclude from feo_user_ns.out that the result is an insulator? The "correction for metals" energy term is larger in magnitude than say, feo_LDA.out. Also, in feo_wannier.out, I don't see how the d occupations are close to 0 or 1.
My other question is, is the correct calculation of the forces in LDA+U implemented? Thank you for your assistance. Kevin Chan
