[QE-users] second step of scf in relax calculations didn't converge

[Coralie Khabbaz]

Hello,

I am doing a relax calculation on my WN (48 atoms) slab. The first step of
scf calculations converged but then the second step didn't converge in 1000
steps (which was my limit). So, the calculations stopped, and I got many
files (data-file.xml, charge-density.dat, paw.txt,
spin-polarization.dat...) but no output file. If my first scf step
converged doesn't that mean that all of my other scf steps should converge
but need more steps? Or is there a problem in my input file?
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