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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