[Pw_forum] Question on Estimated SCF Accuracy

[Jon G]

I have a rather large unit cell(160 atoms that take up the entirety of the
space - symmetry doesn't let me shrink the cell as far as I know)...

My question is: Should scf accuracy be going down with each iteration? I
don't have much experience on large systems and I'm wondering if I'm
wasting my time on this calculation(which is still ongoing). I've cherry
picked a few data points below to show you my dilemma.

Iteration        SCF accuracy:
10th                < 10.8 Ry
20th                < 14 Ry
21st                < 618 Ry
50th                < 644 Ry
64th                < 207Ry
65th                < 469 Ry
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