[Q-e-developers] ibrav = 5, in INPUT_PW.def

[Paolo Giannozzi]

Hi

ibrav=5 is the rhombohedral (or trigonal) lattice, having the three
angles alpha=beta=gamma/=90. Is there any rule or tradition according
to which such angle should be called gamma instead of alpha?

Paolo


On Mon, May 1, 2017 at 8:25 AM,  <nisihara225 at gmail.com> wrote:
> Dear QE-developers,
>
>
>
> INPUT_PW.def says that celldm(4) = cos(alpha) when ibrav = +-5.
>
> However, it may be celldm(4) = cos(gamma) to be correct.
>
>
>
> Regards,
>
> Satomichi Nishihara
>
>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222