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

From: Alexander Hofmann <[email-masked]>
Date: Sun, 16 Jan 2000 13:15:02 +0100 (CET)

> 
> 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

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