look at the description of the ibrav variable to see which parameter are needed in the different cases. stefano
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, > > Eric. > > 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 >> http://www.democritos.it/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110228/7d523cbd/attachment-0001.htm
