[Pw_forum] Bravais lattices & matrix of cell parameters

Nicola Marzari nicola.marzari at materials.ox.ac.uk
Mon Feb 28 11:31:05 CET 2011

On 2/27/11 4:50 AM, Eric Germaneau wrote:
> Dear all,
> The program "cp" is able to take into account the Bravais lattices.
> I'd like to know the relationships between the elements of the matrix of
> cell parameters for each Bravais lattices.
> Can you please tell me where I can get it or explain to me how to derive
> them?
> Thanks in advance,
> Eric.


这是同一个的在PW使用。如果你看看在 Doc/INPUT_PW.txt,
在部分 “namelist SYSTEM“,你可以找到原始的晶格


Prof Nicola Marzari    Department of Materials    University of Oxford
Chair of Materials Modelling  Director, Materials Modelling Laboratory
nicola.marzari at materials.ox.ac.uk     http://mml.materials.ox.ac.uk/NM

More information about the users mailing list