The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <xavier.gonze@uclouvain.be>]

Deat Mohua,

Please switch to ABINITv6.0.1 ,
http://www.abinit.org/downloads/source-packages/abinit-1/releases/6.0.1
where one has implemented
the ability to recognize the space group even when the lattice vectors  
corresponds to a
higher point group than the one that takes into account the atomic  
positions.

Xavier


On 03 Feb 2010, at 21:52, Mohua Bhattacharya wrote:

> Hello,
>
> During the optimization of a primitive mono clinic structure I get  
> this comment that I don't understand
>
>
> symanal : COMMENT -
>   The Bravais lattice determined only from the primitive
>   vectors, bravais(1)=  3, is more symmetric
>   than the real one, iholohedry=  2, obtained by taking into
>   account the atomic positions.
>
>
> Could anybody please help me with this?
>
> Thanks for your time
> Mohua