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look at the description of the ibrav variable to see which parameter
are needed in the different cases.<br>
stefano<br>
<br>
On 03/01/2011 04:55 AM, Eric Germaneau wrote:
<blockquote cite="mid:4D6C6E47.5050902@gucas.ac.cn" type="cite">Well,
my question concern more the crystal class than the Bravais
lattice actually.
<br>
I was just wondering what the matrix of the cell parameters looks
like in a case of non triclinic cell.
<br>
I'm wondering how the fact that a=b for instance is "translated"
in the matrix form of the cell parameters.
<br>
One may also have less than six degree of freedom.
<br>
Thank you,
<br>
<br>
Eric.
<br>
<br>
On 02/28/2011 05:24 AM, Paolo Giannozzi wrote:
<br>
<blockquote type="cite">On Feb 27, 2011, at 5:50 , Eric Germaneau
wrote:
<br>
<br>
<blockquote type="cite">I'd like to know the relationships
between the elements of the matrix
<br>
of cell parameters for each Bravais lattices.
<br>
</blockquote>
you would like to know...what exactly? P.
<br>
---
<br>
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
<br>
Phone +39-0432-558216, fax +39-0432-558222
<br>
<br>
<br>
<br>
<br>
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