Subject: Re: CCL:line decomposition in ZINDO

From: sergiusz kwasniewski <[email-masked]>
Date: Wed, 7 Nov 2001 14:20:26 +0100 (MET)

Seems that the question is a little vague .. Therefore this:

>Hi,
>
>in the output of a zindo program (INDO/s-CIS) the eigenvector is not
printed entirely
>with respect to the mixing of lines (line composition), i.e. if you have an
eigenvalue
>of e.g. 6.65 eV, I can not look at the full line decomposition (the values that
>indicate in what amount the different lines account for in this
excitation). When 
>I compare it to e.g. hyperchem, it gives only the leading contributions. In the
>ZINDO output only part of these contributions is given, and often the leading
>contribution is not there (not printed).
>
>Hope this helps
>Serge

___________________________________________________

	Sergiusz Kwasniewski
	LUC SBG/TS
	Universitaire Campus Gebouw D
	3590 Diepenbeek
	BELGIUM

	tel(direct): 032 (0)11/268315
	fax	   : 032 (0)11/268301
	email      : [email-masked]
	http://www.luc.ac.be/Research/TheoChem
___________________________________________________