Is the grep of :ENE, :DIS and :FOR not useful enough?
From: Wien on behalf of Pavel
Ondračka
Sent: Wednesday, November 4, 2020 7:58 AM
To: A Mailing list for WIEN2k users
Subject: [Wien] convergence criteria in scf file?
Dear Wien2k mailing list,
I'm
Dear Wien2k mailing list,
I'm looking at some old saved calculations, where I don't have the
dayfile (but I vaguely remember some convergence troubles). So I'm now
looking at the scf file and wondering if it is possible to tell from
the scf file, what was the final convergence of energy, charge
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