[Pw_forum] Bravais lattices & matrix of cell parameters
Stefano de Gironcoli
degironc at sissa.it
Mon Feb 28 16:57:24 CET 2011
look at the description of the ibrav variable to see which parameter are
needed in the different cases.
On 03/01/2011 04:55 AM, Eric Germaneau wrote:
> Well, my question concern more the crystal class than the Bravais
> lattice actually.
> I was just wondering what the matrix of the cell parameters looks like
> in a case of non triclinic cell.
> I'm wondering how the fact that a=b for instance is "translated" in
> the matrix form of the cell parameters.
> One may also have less than six degree of freedom.
> Thank you,
> On 02/28/2011 05:24 AM, Paolo Giannozzi wrote:
>> On Feb 27, 2011, at 5:50 , Eric Germaneau wrote:
>>> I'd like to know the relationships between the elements of the matrix
>>> of cell parameters for each Bravais lattices.
>> you would like to know...what exactly? P.
>> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
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