[Wien] convergence criteria in scf file?

[Tran, Fabien]

Is the grep of :ENE, :DIS and :FOR not useful enough?

________________________________________
From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Pavel Ondračka <pavel.ondracka at email.cz>
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 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 and
forces (and also what the convergence criteria passed to run_lapw
were).

Best regards
Pavel

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