Re: [Spglib-users] Symmetries for diamond-Si

[Atsushi T. <atz...@gm...>]

Hi,

Could you put a code (or script) that I can reproduce it?

Togo

On Sun, Oct 16, 2016 at 12:19 AM, Navaneetha Krishnan
<nav...@ca...> wrote:
> Hi,
>
> When I use the following lattice vectors,
>
> l1 : [-0.5a 0.0a 0.5a]
> l2 : [0.0a 0.5a 0.5a]
> l3 : [-0.5a 0.5a 0.0a]
>
> with the following basis atom positions in fractional coordinates:
>
> b1 : [0.0 0.0 0.0]
> b2 : [-0.25 0.75 -0.25]
>
> I get only 16 symmetry operations instead of the usual 48 symmetries for
> diamond lattice. Could someone let me know if they get this problem/let me
> know what I am doing wrong?
>
> Thanks,
> -
> Navaneeth,
> Caltech.
>
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-- 
Atsushi Togo
Elements Strategy Initiative for Structural Materials, Kyoto university
E-mail: atz...@gm...