[Wien] About mBJ convergence

okoyecmi at yahoo.com okoyecmi at yahoo.com
Sat Sep 7 15:36:50 CEST 2013


I think you should increase the mixing factor after some initial scf cycles. This is contained in the UG.
Regards
C M I Okoye
Sent from my BlackBerry wireless device from MTN

-----Original Message-----
From: Muhammad Sajjad <sajjadpu at gmail.com>
Sender: wien-bounces at zeus.theochem.tuwien.ac.at
Date: Sat, 7 Sep 2013 21:29:42 
To: wien<Wien at zeus.theochem.tuwien.ac.at>
Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Subject: [Wien] About mBJ convergence

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