Subject: Re: CCL:Wanted hard-to-converge SCF jobs

From: michael nolan <[email-masked]>
Date: Fri, 14 Mar 1997 08:54:07 +0000 (GMT)

>On Thu, 13 Mar 1997, J. Kong wrote:
> Dear netters,
>
>         We recently deviced some different ways to make the SCF (DFT and
> HF)  converge easier.  We are looking for real-world molecules which
> are hard to converge.  Thank you in advance.
>
> Jing

I was trying HF calculations on Fluorenone and 4,5-benzotropone and got 
no convergence whatsoever.
Perhaps you could try these

	The imp himself has spoken

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Michael Nolan (nearly BSc.)			Dublin City University (quantum chem.)
41 Woodview					Chemistry + german Year 4
Lucan
Co. Dublin
Ireland / Republic of Ireland / ROI / Eire

Email: [email-masked]

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