Subject: MOPAC for d-block?

From: David Gallagher <[email-masked]>
Date: Fri, 23 Jul 1999 08:02:57 -0700

Some addtional information: 
The new MOPAC 2000 also handles 3-D periodic systems (as well as 2-D and
1-D), and can generate band structures. Also, because of it's new linear
scaling algorithms, MOPAC 2000 can handle systems in the order of 20,000
atoms.

David Gallagher

At 11:30 AM 7/22/99 +0200, Victor Anisimov wrote:
>Thant's right. This is not a rumor. Right now MOPAC2000 supports Cu and Ag.
>Fe and Pt will be released very soon. A web reference is
>http://www.fqspl.com.pl/mopac2000/
>
>Hope it helps.
>Victor.
>
>=========================================================================
>Victor Anisimov, PhD, Software Researcher - Computational Chemistry
>FQS Poland, Palac Pugetow, ul. Starowislna 13-15, 31-038 Krakow, Poland
>Email: [email-masked]  Tel.(+48 12) 429 4345  Fax(+48 12) 429 6124
>=========================================================================
>
>
>-----Original Message-----
>From: [email-masked] <[email-masked]>
>To: [email-masked] <[email-masked]>
>Date: 22 èþëÿ 1999 ã. 11:12
>Subject: CCL:MOPAC for d-block?
>
>
>>I was led to believe that there is a version of MOPAC which is able to
>>handle d-block elements but have been unable to find any references on the
>>web, does anyone know anything about this or have the voices in my head
>>started again!
>>Also, is anyone aware of a semi-empirical code which is available which
>>deals with 3-D periodic systems.
>>
>>Scott Owens
>>BNFL Research and Technology
>>[email-masked]
>>
>
>
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>
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