Subject: Re: CCL:ZINDO MO coeffs in G98 -> summary

From: Reinaldo Pis Diez <[email-masked]>
Date: Wed, 15 Dec 1999 08:46:31 -0300

Hi netters,

		Yesterday (!) I asked the net about

> Is there any way to print the MO coeffs in the output for a Zindo/S job 
> in G98? 

	Jens Antony <[email-masked]> gave me the hint: the internal option
iop(5/33=2) must be used instead of iop(6/7=3) as one expected to get
molden inputs. I want to add also that using iop(5/33=1) doesn't work. This
internal option states that "The eigenvalues and the MO coeffs are printed
at the end of the SCF" according to G98 Progammer's Reference, page 111. 
		Thanks Jens!!
		Regards,

							Reinaldo  

Dear Reinaldo!

Try IOp(5/33=2).

Regards, Jens