[Pw_forum] Bravais lattices & matrix of cell parameters

[Nicola Marzari]

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.



嗨埃里克

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
载体的


尼古拉


-- 
----------------------------------------------------------------------
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