[Wien] About mBJ convergence

[Muhammad Sajjad]

Dear Okoye
Thank you for your suggestion, I have tried this already and repeated it
again with mixing factor 0.3, but the problem is still there. Any other
suggestion Okoye and other Wien2k users please?

Regards


On Sat, Sep 7, 2013 at 9:36 PM, <okoyecmi at yahoo.com> wrote:

> 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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