Subject: Self-reply: G92 -coefficients in CIS expansions

From: [email-masked] (Aiaz Bakassov, Phys. Chem., ETH Zurich)
Date: Sun, 26 Jun 1994 18:07:48 +0200

Dear netters,

I've posted a question about 
how to get from G92 more
coefficients in CIS excited states
expansions.

In the meantime, examination of the FORTRAN code
for link L914.F of G92 showed that the following
option must be specified in the job card:

IOp(9/40=N)

and G92 will give you those coefficients
in the CIS expansions for excited states
which are greater than 10^(-N).

Specifying large enough N,
one easily gets all essential 
(to the required accuracy) 
coefficients.

I have a suggestion.
Why won't all of us who run G92
start their postings about G92
with keyword "G92" in the beginning
of the subject ? This would make life
a bit easier for G92 users.

More generally, if a question is about some
software, why don't we always start
the subject from the name of the software?! 

Thank you,
Ayaz Bakasov.
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 Aiaz BAKASSOV (English: Ayaz BAKASOV)  | Phone:  +41 1 632 79 18 
 Laboratorium fuer Phys. Chemie         | FAX:    +41 1 632 10 21
 ETH-Zuerich (Zentrum)          | E-mail: [email-masked]
 CH-8092 Zurich, Switzerland    |         [email-masked]
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