Subject: Symmetry in DSOLID

From: [email-masked] (Rene Windiks)
Date: Fri, 7 Mar 1997 17:11:45 +0100 (NFT)

Dear all,

since short time I using DSolid (DMOL for
periodic structures) to calculate crystals
with large unit cells.  The structures have
symmetry.  So it should be better exploiting
symmetry.  In the manual is written, that
DSolid treats crystalline systems as having P1
symmetry.
I asked the author of this program, B. Delley,
and he answered that the program is able exploiting
symmetry, but not by default.  Unfortunately,
he did not tell me how.

Does somebody know, how one takes symmetry into
consideration in DSolid ?  Has this something to
do with the SYMDEC file?  Is it similar as in 
DMOL?

Best wishes,

Rene Windiks

-- 
____________________________________________
Chemical Institute 
Quantum Chemistry Working Group
Humboldt University Berlin
Leader: Prof. J. Sauer

*   Rene Windiks

Jaegerstr. 10/11
D-10117 Berlin
Germany
Tel. +49-30-20192-306
Fax. +49-30-20192-302
e-mail: [email-masked]
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