[Wien] How to generate struct with StructGen

Antoine Villesuzanne ville at icmcb-bordeaux.cnrs.fr
Wed Dec 1 23:42:09 CET 2004


The "symmetry" program will generate all symmetry operations during the 
initialization, and will add them to the .struct file.
Therefore you have nothing to do.



----- Original Message ----- 
From: "SENAPATI, Laxmidhar" <senapl at berkeley.edu>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Wednesday, December 01, 2004 10:58 PM
Subject: [Wien] How to generate struct with StructGen


> Hi All,
>      I am trying to use w2web  structGen to generate struct, but I don't 
> know how to fix  the symmetry operation as I get the following message :
> "Number of symmetry operations: generate" .
> There is no way I can't change from generate to any number. Please let me 
> know where did I make mistake.
>
>
> Thanks
> lax
>
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