Subject: Re: CCL:Summary - software for periodic systems

From: Noppawan Tanpipat <[email-masked]>
Date: Sat, 22 Jan 2000 18:35:44 -0800

Hi Alex,

Actually, the commercial version of DMol3 v4.2 with multiple k-points is 
scheduled to be released to the general public the beginning of March, 2000.

Best regards,

Noppawan

At 01:15 PM 1/16/00 +0100, Alexander Hofmann wrote:

> >
> > Hi,
> >
> > Actually the multiple k-points capability has already been implemented in
> > the new version of DMol3 (v4.2).
> >
> >
>
>It's true, but my local MSI-dealer told me, that members of MSI catalysis
>consortia will get the code in the next month, but the 'normal' MSI
>customer has got to wait until late 2000.
>
>Perhaps there are some new developments? By the way, DMol3 is very fast
>(in comparison with CASTEP for large systems (20 and more atoms)).
>
>best regards
>
>Alex
>
>---
>
>Dr. Alexander Hofmann
>Institut fuer Angewandte Chemie Berlin-Adlershof e.V.
>Richard-Willstaetter-Str. 12
>
>D-12489 Berlin
>
>[email-masked]
>
>Tel.: 030/6392-4408
>Fax.: 030/6392-4350
>
>PGP-Private key:
>http://www.uni-leipzig.de/~quant/hofmann/alexander.hofmann.pubkey.asc

+++++++++++++++++++++++++++++
Noppawan Tanpipat, Ph.D.
Product Manager, Quantum Chemistry
Molecular Simulations Inc.
9685 Scranton Road
San Diego, CA 92121
USA

Tel:            (858) 799-5332
Fax:            (858) 458-0136
Email:          [email-masked]
Web:            http://www.msi.com